ANSCSE 14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 ACKNOWLEDGMENTS National Electronics and Computer Technology Center (NECTEC) Computational Science and Engineering Association(CSEA) Mae Fah Luang University (MFU) Program Summary ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Tuesday, March 23, 2010 TimeBuilding S1 09.00 10.00 Registration for Workshops Room 101Room 102 10.00 -12.00 Workshop on Computational Material Science: A Hands-on Tutorial Workshop on Bioinformatics 12.00 13.00LUNCH 13.00 14.45 Workshop on Computational Material Science: A Hands-on Tutorial Workshop on Bioinformatics 14.45 15.00BREAK 15.00 16.30 Workshop on Computational Material Science: A Hands-on Tutorial Workshop on Bioinformatics Wednesday, March 24, 2010 TimeBuilding C3, Room 107 08.00 09.00 Registration 09.00 09.20 Opening Ceremony 9.05 - Welcome address and Report by Dean of School of Science, Mae Fah Luang University 9.15 09.20 10.00 - Opening Speech by the President of Mae Fah Luang University Keynote Lecture Chairman: Dr. Sornthep Vannarat Dr. Mark Harris (NVIDIA) Transforming Computational Science with CUDA 10.00 10.20BREAK Program Summary ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 10.20 12.00 Oral Presentation (6 parallel sessions) Building C2Room 208Room 209Room 210Room 213Room 214Room 215 Computational Chemistry (I) Computational Chemistry (II) Computational Fluid Dynamics and Solid Mechanics (I) Computational Physics (I) Computational Biology and Bioinformatics (I) Computer Science and Engineering (I) INV-3 INV-4 A00003 A00024 INV-1 INV-5 B00003 B00004 E00004 E00005 E00010 E00006 E00013 D00018 D00041 D00042 D00043 D00003 A00033 A00025 A00019 A00017 A00027 G00134 G00110 G00137 G00138 G00156 12.00 13.00LUNCH 13.00 15.00 Oral Presentation (6 parallel sessions) Room 208Room 209Room 210Room 213Room 214Room 215 HPC (I) Computational Chemistry (III) Computational Fluid Dynamics and Solid Mechanics (II) Computational Physics (II) Computational Biology and Bioinformatics (II) Computer Science and Engineering (II) F00006 F00001 F00014 F00019 B00007 B00008 B00011 B00012 B00014 B00016 E00022 E00023 C00005 E00027 E00007 D00015 C00012 D00011 D00005 D00022 D00062 A00036 A00028 A00015 A00039 A00007 A00014 G00008 G00034 G00082 G00119 G00131 G00152 15.00 15.20BREAK 15.20 16.40 Oral Presentation (6 parallel sessions) Room 208Room 209Room 210Room 213Room 214Room 215 HPC (II) Computational Chemistry (IV) Computational Mathematics (I) Computational Physics (III) Computer Science and Engineering (III) Computer Science and Engineering (IV) F00002 F00007 F00012 F00009 B00017 B00019 B00020 B00021 C00015 C00002 C00004 C00014 D00010 D00012 D00016 D00061 G00026 G00160 G00006 G00135 G00089 G00093 G00115 G00039 LARN DAO, Mae Fah Luang University 16:40-17:00 Group Photo Wiang Inn Hotel 18:00-20.00 Welcome PartyProgram Summary ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Thursday, March 25, 2010 TimeBuilding C3, Room 107 09.00 09.40 Keynote Lecture Chairman: Assoc. Prof. Dr.Supa Hannongbua Prof. Kohji Tashiro (Department of Future Industry-oriented Basic Science and Materials, Graduate School of Engineering, Toyota Technological Institute) Harmonic Combination of Computer Simulation and Experimental Technique for the Study of Structure-Property Relationship of Crystalline Polymers 09.40 10.00BREAK 10.00 12.00 Oral Presentation (6 parallel sessions) Building C2Room 208Room 209Room 210Room 213Room 214Room 215 Computational Chemistry (V) Computational Chemistry (VI) Computational Mathematics (II) Computational Physics (IV) Computer Science and Engineering (V) Computer Science and Engineering (VI) INV-6 INV-8 B00006 B00042 B00050 INV-7 INV-2 B00022 B00027 B00030 C00011 C00013 C00020 C00009 G00072 D00009 D00017 D00047 D00056 D00048 G00002 G00080 G00151 G00081 G00090 G00038 G00141 G00123 G00041 G00120 G00070 G00013 12.00 13.00LUNCH 13.00 15.00 Oral Presentation (6 parallel sessions) Room 208Room 209Room 210Room 213Room 214Room 215 HPC (III) Computational Chemistry (VII) Computational Fluid Dynamics and Solid Mechanics (III) Computational Physics (V) Computer Science and Engineering (VII) Computer Science and Engineering (VIII) F00016 F00013 F00015 F00010 F00011 B00033 B00034 B00035 B00037 B00038 B00040 E00021 E00008 E00003 E00001 E00018 D00007 D00031 D00037 D00008 D00040 G00164 G00059 G00075 G00091 G00068 G00128 G00003 G00025 G00027 G00094 G00140 G00133 15.00 15.20BREAK Program Summary ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 15.20 16.40 Oral Presentation (6 parallel sessions) Room 208Room 209Room 210Room 213Room 214Room 215 Computational Chemistry (VIII) Computational Chemistry (IX) Computational Biology and Bioinformatics (III) Computational Physics (VI) Computer Science and Engineering (IX) Computer Science and Engineering (X) A00005 A00010 A00012 A00020 A00022 B00041 B00045 B00046 B00051 B00053 B00054 B00055 A00013 A00021 A00016 A00009 A00008 D00020 D00028 D00044 D00046 G00143 G00114 G00139 G00132 G00129 G00066 G00063 G00122 G00095 G00116 G00062

Friday, March 26, 2010 Site Excursion8.00 16.30 Visit Doi Tung and Opium Hall Oral Presentation Schedule ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Building C2 Room 208 Wednesday, 24 March2010 Computational Chemistry (I) Chairman: Anan Tongraar 10.20-10.50INV-3 Chalermpol Kanchanawarin, Molecular dynamics study of a mosquito larvicidal protein Cry4Aa toxin from Bacillus thuringiensis in its trimeric form 10.50-11.20INV-4 Piyarat Nimmanpipug, Molecular Modeling of Low Energy Ion Bombardment/Plasma Treatment in Polymer Design 11.20-11.40A00003 Kan Sornbundit, Monte Carlo Simulation of Two-component Bilayers with Interlayer Coupling 11.40-12.00A00024 Prontipa Nokthai, Molecular Modeling of Peroxidase and Polyphenol Oxidase : Substrate Specificity and Active Site Comparison 12:00-13:00Lunch High Performance Computing and Grid Computing (I) Chairman: Sangsuree Vasupongayya 13.00-13.20F00006 Sittikorn Thawornrattanawanit, Parallel Program Development for Tsunami Simulation with the Message Passing Interface 13.20-13.40F00001Wongnaret Khantuwan, Multi-GPUs Voxelization of 3D Data 13.40-14.00F00014 Jedsada Phengsuwan, Performance Evaluation of Cache Replacement Policies for High-Energy Physic Data Grid 14.00-14.20 F00019 Klaokanlaya Silachan, Automatic Predictive URL-Categories Classification to UM Model using Decision Tree Model 15:00-15:20Break High Performance Computing and Grid Computing (II)Chairman: Chantana Phongpensri(Chantrapornchai) 15.20-15.40 F00002 Anucha Ruangphanit, Simulation Study of Channel Engineering Design for Sub Micrometer Buried Channel PMOS Devices 15.40-16.00 F00007 Weera Pengchan, Optimization of Geometry of LOCOS Isolation in Sub micrometer CMOS by TCAD Tools 16.00-16.20 F00012 Banpot Dolwithayakul, Solving Magnetic Sounding Integral Equations from Multilayer Earth Using Message Passing Interface 16.20-16.40F00009 Kanon Sujaree, Solving Nanocomputing Problem via Misic Inspired Harmony Search Algorithm Oral Presentation Schedule ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Building C2 Room 208Thursday, 25 March2010 Computational Chemistry (V) Chairman: Vannajan Sanghiran Lee 10.00-10.30INV-6 Nadtanet Nunthaboot, Effects of Residues Changes on Human Receptor Binding Affinity of H1N1 Hemagglutinins Insights from Molecular Dynamics Simulation 10.30-11.00INV-8 Thanyada Rungrotmongkol, Concerns, recent outbreak and molecular insight into H5N1 and pandemic H1N1-2009 influenza A viruses 11.00-11.20B00006 Nur kusaira Khairul ikram, Structure Based Drug Design for Swine Flu Chemotherapeutics New Neuraminidase Inhibitors from Plants Natural Compounds 11.20-11.40B00042 Kanin Wichapong, Virtual Screening and Binding Free Energy Calculation for Inhibitors of Dengue Virus NS2B/NS3 Protease 11.40-12.00B00050 Panita Decha, Computational studies of HIV-1 Reverse Transcriptase Inhibitors: as a Molecular Basis for Drug Development 12:00-13:00Lunch High Performance Computing and Grid Computing (III) Chairman: Putchong Uthayopas 13.00-13.20F00016Sangsuree Vasupongayya, Impact of Workloads on Fair Share Policies 13.20-13.40F00013 Sugree Phatanapherom, Parameters Self-Tuning Technique for Large Scale Scheduler 13.40-14.00F00015 Anupong Banjongkan, Modeling and Simulation of Large-scale Virtualization based on the CloudSim Toolkit 14.00-14.20F00010 Nopparat Nopkuat, Effective Workload Management Strategies for a Cloud of Virtual Machine 14.20-14.40F00011 Ekasit Kijsipongse, Two-Level Scheduling Technique for Mixed Best-Effort and QoS Job Arrays on Cluster Systems 15:00-15:20Break Computational Chemistry (VIII) Chairman: Chalermpol Kanchanawarin 15.20-15.40A00005 Yie vern Lee, Virtual screening for inhibitors on isocitrate lyase of Mycobacterium Tuberculosis with NADI database 15.40-16.00A00010 Yee siew Choong, Isoniazid Resistance in MycobacteriumTuberculosis Inha Mutants 16.00-16.20A00012 Sy bing Choi, Membrane Protein Simulation: A Case Study on Selected Hypothetical protein from Klebsiella pneumoniae MGH78578 16.20-16.40A00020 Kunan Bangphoomi, Finding new lead compound for anti-cancer drug by using in silico screening technique 16.40-17.00A00022 Jiraporn Yongpisanphop,De novo Design of HIV-1 Reverse Transcriptase Inhibitor against K103N/Y181C Mutant: Bioinformatics Approach Oral Presentation Schedule ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Building C2 Room 209Wednesday, 24 March2010 Computational Chemistry (II) Chairman: Vudhichai Parasuk 10.20-10.50INV-1 Hajime Hirao, QM/MM Computational Studies of Metalloenzymes: Characterization of Elusive Intermediates and Elucidation of Reaction Mechanisms 10.50-11.20INV-5 Vannajan Sanghiran Lee, Molecular Dynamics Simulations of Antibody ScFv Fragments without Disulfide Bond 11.20-11.40B00003 Tuanjai Somboon, Hybrid Quantum Mechanical/Molecular Mechanical studies on Two Families of cis,cis-Muconate Lactonizing Enzymes 11.40-12.00B00004 Tammarat Piansawan, Kinetics of the Hydrogen Abstraction Cl + Alkane HCl + Alkyl Reaction Class: An Application of the Reaction Class Transition State Theory 12:00-13:00Lunch Computational Chemistry (III) Chairman: Waraporn Parasuk 13.00-13.20B00007 Apirak Payaka, QM/MM dynamics of HCOO--water hydrogen bonds in aqueous solution 13.20-13.40B00008 Rathawat Daengngern, Quantum Mechanics Simulation on Structure of7-Azaindole(Methanol)2 Cluster and Excited-State Triple-Proton Transfer Reactions in the Gas Phase 13.40-14.00B00011 Ang Lee sin, Computational Studies On The Structural Conformations ofN-Benzoyl-N-p-Substitued Phentlthiourea Derivatives 14.00-14.20 B00012 Supaporn Dokmaisrijan, Crystal structures and DFT studies on [TpPh2Ni(S2CNR2)] (R = Et, Bz) and [TpPh2Ni(S2Cpyr)] 14.20-14.40B00014 Atichat Wongkoblap, Computer Study for Characterization of Porous Solid using Accessible Pore Volume Concept 14.40-15.00B00016 Chutintorn Punwong, Direct QM/MM simulations of excited state dynamics of Rhodopsin chromophore in different environments 15:00-15:20Break Computational Chemistry (IV) Chairman:Piyarat Nimmanpipug 15.20-15.40B00017 Muchtaridi ,Virtual Screening on Neuraminidase Inhibitors activity of plant- derived natural products by using Pharmacophore Modelling and Docking 15.40-16.00B00019 Arthit Vongachariya, Electronic and Mechanical Properties on B-N Doped Single-wall Carbon Nanotubes 16.00-16.20B00020 Nopporn Kaiyawet, Mutation of Hemagglutinin H5 can change recognition to human sialic acid-2,6-galactose using in silico technique 16.20-16.40B00021 Arthitaya Meeprasert, A Comparative Study of Structural and Binding Affinity of Pyrrolidinyl PNA and DNA Using MD Simulations Oral Presentation Schedule ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Building C2 Room 209Thursday, 25 March2010 Computational Chemistry (VI) Chairman: Supa Hannongbua 10.20-10.50INV-7 Wolfgang Sippl, Computer-based methods in drug design how useful are they? 10.50-11.20INV-2 Yuthana Tantirungrotechai,A Molecular Dynamics Study of Carbazole Derivatives as Universal Base 11.00-11.20B00022 Thanisorn Yakhantip, Theoretical Study of Organic Molecules Use in Dye-Sensitized Solar Cell (DSSC) Based on Time Dependent-Density Functional Theory (TD-DFT) 11.20-11.40B00027 Krit Prasittichok, Classification of Thai Fragrant Rice (Oryza sativa) Using Gas Chromatographic Profiles in Conjunction with Statistical Methods 11.40-12.00B00030 Thantip Krasienapibal, The effect of electron-donating groups on the conducting property of polythiophene derivatives using PBC calculation 12:00-13:00Lunch Computational Chemistry (VII) Chairman:Yuthana Tantirungrotechai 13.00-13.20B00033 Jitrayut Jitonnom, QM/MM Study On The Catalytic Mechanism of Family 18 Chitinase 13.20-13.40B00034 Anurak Udomvech, Theoretical Study of Li and Li+ intercalated in Double-Walled Carbon Nanotubes 13.40-14.00B00035 Waleepan Sangprasert, Molecular Calculation of Plasma Treatment Efficiency on PMMA and FRC as Denture Materials 14.00-14.20B00037 Kanjarat Sukrat, To the best estimation of reaction barriers for proton exchange reactions of C1-C4 alkanes in ZSM-5 zeolite 14.20-14.40B00038 Mohd razip Asaruddin, Neuraminidase Inhibitor Identification by Pharmacophore Modelling and Docking from NADI-VA compound 14.40-15.00B00040 Janchai Yana, MD simulation of Nafion surface modificationby Ar+ bombardment 15:00-15:20Break Computational Chemistry (IX) Chairman: Nawee Kungwan 15.20-15.40B00041 Somphob Thompho, Influence of the silanol groups on the external surface of silicalite-1 on the adsorption dynamics of methane 15.40-16.00B00045 Purinchaya Sornmee, Loading of Doxorubicin on Single-Walled Carbon Nanotube by MD Simulations 16.00-16.20B00046 Uthumpon Arsawang, Molecular Dynamics Simulations of GEMZAR encapsulated in carbon nanotube 16.20-16.40B00051 Sufian M. Nawi, Docking of Dengue Virus Methyltransferase Inhibitor from Nadi Database (In House Malaysian Medicinal Plant Database) 16.40-17.00B00053 Auradee Punkvang, Investigating the Binding of Arylamide Derivatives as Tuberculosis Agent in InhA usingMolecular Dynamics Simulations 17.00-17.20B00054 Mayuree Phonyiem , Proton transfer reactions and dynamics atsulfonic acid groups of Nafion 17.20-17.40B00055Charoensak Loa-ngam, Proton Conduction at Sulfonate Group of Nafion Oral Presentation Schedule ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Building C2 Room 210Wednesday, 24 March2010 Computational Fluid Dynamics and Solid Mechanics (I) Chairman: Ekachai Juntasaro 10.20-10.40E00004 Anat Srimungkala, Multiphysics Analysis of Gas Turbine Blade Cooling using Computational Fluid Dynamics (CFD) 10.40-11.00E00005 Jenwit Soparat, Computational Study of Totally Enclosed Fan Cooled System in an Electric Induction Motor 11.00-11.20E00010 Chaiwut Gamonpilas, Characterisation of Non-linear Viscoelastic Properties via Indentation Techniques 11.20-11.40E00006 Theeradech Mookum, Numerical Simulation of Two-Phase Flows and Heat Transfer in Continuous Steel Casting Process 11.40-12.00E00013 Perakit Viriyarattanasak, Semi-Solid Die Casting Mold Development Utilizing CAE Technique 12:00-13:00Lunch Computational Fluid Dynamics and Solid Mechanics (II) Chairman: Sirod Sirisup 13.00-13.20E00022 Vejapong Juttijudata, Kinematics and Dynamics of Coherent Structures within a Turbulent Spot in Plane Channel Flow 13.20-13.40E00023 Kiattisak Ngiamsoongnirn, Towards an Extension of the SST-k- Model for Transitional Flow 13.40-14.00C00005Wariam Chuayjan, Pressure Distribution along the Silo Wall 14.00-14.20E00027 Bupavech Phansri, Inelastic Transient Dynamic Analysis by BEM Using Domain Decomposition 14.20-14.40E00007 Wattana Kanbua, Forecasting Tropical Cyclone Movement by Neural Network 15:00-15:20Break Computational Mathematics (I) Chairman: John Chiverton 15.20-15.40C00015 Sergey Meleshko, On linearization of stochastic ordinary differential equations 15.40-16.00C00002 Nopparat Pochai, A Numerical Computation for Water Quality Model in a Non-Uniform Flow Stream Using Maccormack Scheme 16.00-16.20C00004 Sirod Sirisup, Tidal Analysis with Error Estimates: Local and Repositories Variations 16.20-16.40C00014 Songkran Siridejachai, Filling Incomplete Wind Speed Data by Using Kriging Interpolation Oral Presentation Schedule ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Building C2 Room 210Thursday, 25 March2010 Computational Mathematics (II) Chairman: Sornthep Vannarat 10.00-10.20C00011 Mohd Rivaie, A Comparative Study of Conjugate Gradient Method for Unconstrained Optimization 10.20-10.40C00013 Pongwit Promsuwan, A Matrix Partitioning Technique for Distributed Solving Large Linear Dense Equations 10.40-11.00C00020 Raywat Tanadkithirun, A Study on Numerical Methods for Mean-Reverting Square Root Processes with Jumps 11.00-11.20C00009 John Chiverton, Comparison of Reversible Feature Extraction Techniques Applied to Anatomical Shape Modelling 11.20-11.40G00072Sutthinun Naknoi, Filter Rules and Thai big capital stocks trading 12:00-13:00Lunch Computational Fluid Dynamics and Solid Mechanics (III) Chairman: Vejapong Juttijudata 13.00-13.20E00021 Somporn Chuai-aree, VirtualFlood3D : Software for Simulation and Visualization of Water Flooding 13.20-13.40E00008Wattana Kanbua, Analysis of Coastal Erosion by Using Wave Spectrum 13.40-14.00E00003 Sirod Sirisup, Coastal Simulation of the Gulf of Thailand: Effects of tidal forcing 14.00-14.20E00001 Panat Guayjarernpanishk, Linear and weakly nonlinear solutions of subcritical free-surface flow over submerged obstacles 14.20-14.40E00018 Pairin Suwannasri,Numerical Simulation of the Fluid Flow Past a Rotating Torus 15:00-15:20Break Computational Biology (III) Chairman: Piyarat Nimmanpipug 15.20-15.40A00013 Suwat Jutapruet, Mark-Recapture Model Testing for Indo-Pacific Humpback Dolphin Population at Khanom Sea, Nakhon Si Thammarat 15.40-16.00A00021 Uthai Kuhapong, Cross Association of Sea Surface Temperature of 13 Sites in Thailand 16.00-16.20A00016 Sirilak Chumkiew, Sea Surface Temperature Declines at Coral Sites Using Field Sensors and NOAA Data 16.20-16.40A00009 Premrudee Noonsang,Developing Business Intelligent Tools for NBIDS Coral Database System 16.40-17.00A00008 Wittaya Pheera, Cluster Analysis of Temperature-Relative Humidity Data at Mt. NOM Cloud Forest Oral Presentation Schedule ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Building C2 Room 213Wednesday, 24 March2010 Computational Physics (I) Chairman: Anucha Yangthaisong 10.20-10.40D00018 Thanapol Chanapote, Electronic Structures and Thermoelectric Properties of SrTiO3 10.40-11.00D00041 Winya Dungkaew, Phase Characterization and Saturation Modeling of the Calcium Phosphate-Arsenate Apatite System 11.00-11.20D00042 Oratai Saisa-ard, Phase Characterization and Saturation Modeling of the Calcium-Lead Phosphate Apatite System 11.20-11.40D00043 Samroeng Krachodnok, Order-Disorder Structure in a New Zinc Oxovanadate, [Zn(Im)4][V2O6] 11.40-12.00D00003 Busara Pattanasiri, Vacancy-mediated dynamics with quenched disorder in binary alloy: Monte Carlo simulations and dynamic scaling 12:00-13:00Lunch Computational Physics II Chairman: Anant Eungwanichayapant 13.00-13.20D00015 Achara Seripienlert, Collimation of Particle Beams by Two-Dimensional Turbulent Structure 13.20-13.40C00012Thaipanya Chanpoom, Two-Dimensional Bisoliton Model in Cuprates 13.40-14.00D00011 Charong Buachan, Effect of Magnetic Turbulence Structure on the Parallel Transport of High Energy Particles 14.00-14.20D00005 Noparit Jinuntuya, Numerical Investigations of the Distributions of Elementary Excitations of the Bimodal Ising Spin Glass 14.20-14.40D00022 Kathawut Kulsirirat, The Critical Temperature of Transition Energy of Single Quantum Well 14.40-15.00D00062 Suwat Pabchanda, First principle study on the optical band-edge absorption of Fe-doped SnO2 15:00-15:20Break Computational Physics (III) Chairman: Piyanate Chuychai 15:20-16:40D00010 Watcharawuth Krittinatham, Diffusion of Galactic Cosmic Rays in an Interplanetary Magnetic Flux Rope 15.40-16.00D00012 Nattapong Kamyan, Secondary Neutrons from Cosmic Rays in Earths Atmosphere above the Princess Sirindhorn Neutron Monitor 16.00-16.20D00016 Peerasak Sangarun, Computational Classification of Cloud Forest Using Atmospheric Data from Field Sensors 16.20-16.40D00061 Alejandro Saiz, On the Estimation of Solar Particle Fluence at Jupiter's Orbit Oral Presentation Schedule ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Building C2 Room 213Thursday, 25 March2010 Computational Physics (IV) Chairman:Kenneth Haller10.00-10.20D00009 Ang Lee Sin, First Principle Investigations of Electronic Structures and Hyperfine Interactions of Muonium in Tetraphenylmethane 10.20-10.40D00017 Piyawong Poopanya, Band structures and thermoelectric properties of CuAlO2 from first-principles calculations 10.40-11.00D00047 Ahchareeya Srisaikum, Electronic structures of CoSb3 calculated by first principle method 11.00-11.20D00056 Watchareeya Chaiyarat, First-principles study of cubic perovskitesBa1-xSrxTiO3 11.20-11.40D00048 Chewa Thassana, The Effect of the Coulomb Interaction and Exchange Interaction on Spin Magnetic Moment of MnO 12:00-13:00Lunch Computational Physics (V) Chairman:Rungrote Nilthong 13.00-13.20D00007Ang Lee Sin, The Effects of Dangling Bond Terminators in MOF-5 13.20-13.40D00031 Monta Meepripruek, Solvation in 3-[(2-hydroxyethoxy)-methyl]-6-methyl-3H-imidazolo [1,2-a]purin-9(5H)-one dihydrate; C11H13N5O32H2O 13.40-14.00D00037 Ratchadaporn Puntharod, Molecular and Supramolecular Structure of Fe(OEP)picrate 14.00-14.20D00008Ang Lee Sin, Hyperfine Interactions of Muonium in Graphene 14.20-14.40D00040 Kenneth Haller, Redetermination of the Structure of the Radical Cation of 9,9-Bis-9-azabicyclo[3.3.1]nonane 15:00-15:20Break Computational Physics (VI) Chairman: Anucha Yangthaisong 15.20-15.40D00020 Piyapong Premvaranon, The Study of Illuminance and Thermal Effect in High Power LED Arrays 15.40-16.00D00028 Weenawan Somphon, Refinement of a One-Dimensional Modulated Structure 16.00-16.20D00044 Weera Pengchan, The Defect Generated in PN Junction Analysis by the Arrhenius Activation Energy Technique 16.20-16.40D00046 Weera Pengchan, Diagnostics of Ion Implantation with 0.8 micron CMOS Technology based on TCAD Simulation Oral Presentation Schedule ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Building C2 Room 214Wednesday, 24 March2010 Computational Biology (I) Chairman: Jeerayut Chaijaruwanich 10:20-12:00A00033 Pongmanee Thongbai, Estimating Carbon Sequestration of J. curcas L. from Plant CO2 Assimilation and Dry Matter Accumulation 10.40-11.00A00025 Somporn Chuai-aree, Automatic Measurement of Plant Growth Using Region Growing Method 11.00-11.20A00019 Visanu Wanchai, A study of niche adaptation in Cyanobacteria via evolutionary scenario of photosynthetic machinery 11.20-11.40A00017 Piyachat Udomwong, A Conditional Random Fields-Based for CpG islands prediction in Rice 11.40-12.00A00027 Worrawat Engchuan, The estimation of SNP-SNP interaction in pooled DNA 12:00-13:00Lunch Computational Biology (II) Chairman:Vannajan Sanghiran Lee 13.00-13.20A00036 Wai keat Yam, Using MM-PBSA Method to Further Understand Molecular Interaction in Large Ribosomal Subunit-Macrolide System 13.20-13.40A00028 Panisa Treepong, Effects of RNA Quality on Gene Expression Functional Profiles 13.40-14.00A00015 Sitthichoke Subpaibbonkit, RNA Secondary Structure Prediction Using Conditional Random Fields Model 14.00-14.20A00039 Sasiprapa Krongdang, 3D Pharmacophore and Molecular Docking of AFB Metalloprotease and Peptide Analogs for Novel Antimicrobial Inhibitors 14.20-14.40A00007 Siriwan Wongkoon, Developing Predictive Models for Dengue Haemorrhagic Fever Incidence Rate in Chiang Rai, Thailand 14.40-15.00A00014 Thanaphongphan Narathanathanan, Predicting Functional Pathway of Nevirapine inducing Skin Adverse Drug Reaction in HIV-infected Thai Patients with Integrated Biological Networks 15:00-15:20Break Computational Science and Engineering (III) Chairman: Vara Varavithya 15:20-16:40G00026 Puangrat Jinpon, Developing Dashboard Decision Support System For Subdistrict Administration Organization Network 15.40-16.00G00160 Kinzang Wangdi, Credit Application Classification: A Case Study of National Pension and Provident Fund of Bhutan 16.00-16.20G00006 Jutarat Khiripet, Decision Tree Era Classification of Ancient Thai Inscriptions 16.20-16.40G00135 Kinzang Wangdi, Classification of Loan Borrowers of National Pension and Provident Fund of Bhutan: A Case Study Oral Presentation Schedule ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Building C2 Room 214Thursday, 25 March2010 Computational Science and Engineering (V) Chairman: Nawapak Eua-anant10.00-10.20G00002 Alagan Anpalagan, Use of Genetic Algorithm in Computing the Capacity of a Discrete Memoryless Channel and Corresponding Symbol Probability Distribution 10.20-10.40G00080 Sirimas Pongjanla, Variation Analysis of Neural Network Based Approximation Function 10.40-11.00G00151 Wanapun Waiyawut, Thai Numeric Hand Written Character Recognition by Counter propagation and Hopfield Neural Network 11.00-11.20 G00081 Jaratsri Rungrattanaubol, Artifitial Neural Network and Kriging Model Approximatios for The Deterministic Output Response 11.20-11.40G00090 Pisit Nakjai, Multilayer Neural Networks for contacting load model of Distributive Tactile Sensing 11.40-12.00G00038 Wattana Kanbua, Decision Support System for Prediction Air Temperature in Northern Part of Thailand by using Neural Network 12:00-13:00Lunch Computational Science and Engineering (VII) Chairman: Chantana Chantrapornchai 13.00-13.20G00164 Perawat Boonpuek, Development of Free Bulge Test Tooling for Flow Stress Curve Determination of Tubular Materials 13.20-13.40G00059 Somrerk Poodchakarn, Misalignment Compensation of Sheet Metal Forming Tool by Loop-shaping Controller 13.40-14.00G00075 Ramm Khamkaew, Survey of Metaheuristic Methodology for Solving Container Loading Problem 14.00-14.20G00091 Nitisak Charoenroop, Public Transport Route Design for Minimal Energy Consumption 14.20-14.40G00068 Shongpun Lokavee, The Geometry and Electronic Structures of Functionalized Single-Walled Carbon Nanotubes by Carboxyl Groups on Perfects and Defect Tubes 14.40-15.00G00128 Kittipong Hi-ri-o-tappa, Development of Real-Time Short-Term Traffic Congestion Prediction Method 15:00-15:20Break Computational Science and Engineering (IX) Chairman: Putchong Uthayopas 15.20-15.40G00143 Pariwat Wongsamran, Power Management for WLAN DAM Environmental Monitoring System 15.40-16.00G00114 Phayong Sornsiriaphilux, On Applying Simple Data Compression to Wireless Sensor Networks 16.00-16.20G00139Wuttichai Wongsarasin, Web Spam Recognization by Edge Label 16.20-16.40G00132 Thanawit Kumkurn, Application of Optical Data Glove to Hand Gesture Interpretation 16.40-17.00G00129 Pongdej Saovapakhiran, Clustering of Search Results:A Case Study of Thai-Language Web Pages 17.00-17.20G00066Pratarn Chotipanbandit, Data Hiding and Security for Printed Documents Oral Presentation Schedule ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Building C2 Room 215Wednesday, 24 March2010 Computational Science and Engineering (I) Chairman: Sornthep Vannarat 10.20-10.40G00134Napat Rujeerapaiboon, Flexible Grammar Recognization Algorithm 10.40-11.00G00110 Noppadon Khiripet, Subgraph Isomorphism Search for Network Motif Mining 11.00-11.20G00137 Chaiwat Suwansaroj, Implementation of QRS detection with Pythonon Linux system 11.20-11.40G00138 Kawin Worrasangasilpa, Parallel Additive Operation in Flexible Interval Representation System 11.40-12.00G00156 Surachai Panich, Development of Mobile Robot Based on Differential Drive Integrated with Accelerometer 12:00-13:00Lunch Computational Science and Engineering (II) Chairman: Vara Varavithya 13.00-13.20G00008 Rapeepun Boonsin, Natural Scene Matching using Inexact Maximum Common Subgraph 13.20-13.40G00034 Niyada Rukwong, Determining Appropriate Parameter Setting of Firefly Algorithm Using Experimental Design and Analysis 13.40-14.00G00082 Rosemarin Sukhasem, Analysis of Centers Initialization on K-means Performancein Clustering Problem 14.00-14.20G00119 Chantana Chantrapornchai, Exploration of Parallelism in Developing Fuzzy Applications 14.20-14.40G00131 Anakapon Wiengpon, A Modified Version of Adaptive Arithmetic Encoding Algorithm 14.40-15.00G00152 Sithar Dorji, A Novel Hybrid Clustering Method for Customer Segmentation 15:00-15:20Break Computational Science and Engineering (IV) Chairman: Jeerayut Chaijaruwanich15:20-16:40G00089 Siriprapa Ritraksa, Structural Model of Blood Vessels in Heart Using Lindenmayer Systems 15.40-16.00G00093 Piyamas Suapang, Automatic Vessels Edge Detection for Low-Contrast Babys Retinal Images 16.00-16.20G00115Ariya Namvong, Facial Reconstruction from Skull 16:20-16:40G00039 Nittaya Kerdprasop,Probabilistic Knowledge Discovery from Medical Databases Oral Presentation Schedule ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Building C2 Room 215Thursday, 25 March2010 Computational Science and Engineering (VI) Chairman: Sirod Sirisup 10.00-10.20G00141 Somporn Chuai-aree, KML Generator for Visualizing of Numerical Results from Weather and Ocean Wave Simulation in Google Earth API 10.20-10.40G00123 Supat Sairattanain, One-Dimensional Hydrodynamic CalibrationStudy of Mae Lao River Flow 10.40-11.00G00041 Parkpoom Khamchuay, Classify Freshwater Fish Using Morphometric Analysis and Image Processing Technique 11.00-11.20G00120 Panuwat Mekha, Determination of Sequence-Similarity Kernel Function for Support Vector Machines in Classification of Influential Endophytic Fungi in Rice on Bakanae Disease 11.20-11.40G00070 Itthi Sa-nguandee, An Improvement of Rainfall Estimation in Thailand Using FY-2C Numerical Data 11.40-12.00G00013Adil Siripatana, Wind Circle 3D Visualization of Direction Weather Data 12:00-13:00Lunch Computational Science and Engineering (VIII) Chairman:Nawapak Eua-anant 13.00-13.20G00003Nunnapad Toadithep, Image Processing for Rice Diseases Analysis 13.20-13.40G00025Surapong Uttama, Adaptive Window Size for Spatial Image Segmentation 13.40-14.00G00027 Sarin Watcharabutsarakham, Noise Reduction of Ancient Document Images 14.00-14.20G00094 Piyamas Suapang, Image Acquisition and Image Processing Program for Dermatology Camera 14.20-14.40G00140 Prat Nudklin, Enhanced Image Watermarking Using Adaptive Pixel Prediction and Local Variance 14.40-15.00G00133Thitiporn Pramoun, Improved Image Watermarking using Pixel Averaging 15:00-15:20Break Computational Science and Engineering (X) Chairman:Nawapak Eua-anant 15.20-15.40G00063 Hataikan Chiverton, Histogram Specification for Variable Illumination Correction of Face Images 15.40-16.00G00122 Bhovornsak Somkror, Digital Watermarking with 2D Barcode and General Watermark using DCT for JPEG Image 16.00-16.20G00095 Piyamas Suapang, Image Acquisition and Image Processing Program for Firearms and Toolmarks Comparision in Forensic Science 16.20-16.40G00116 Ninasree Charawae, Online Object Detection Program Using Fast Image Processing 16.40-17.00G00062 John Chiverton, Model Based Motor Vehicle Segmentation and Type Classification Using Shape Based Background Subtraction Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Keynote Lectures PageKY-1Transforming Computational Science with CUDA Harris, M. KY-1KY-2Harmonic Combination of Computer Simulation and Experimental Technique for the Study of Structure-Property Relationship of Crystalline Polymers Tashiro, K. KY-2 Invited Lectures INV-1QM/MM Computational Studies of Metalloenzymes: Characterization of Elusive Intermediates and Elucidation of Reaction MechanismsHirao, H. INV-1INV-2A Molecular Dynamics Study of Carbazole Derivatives as Universal BaseTantirungrotechai, Y. INV-2INV-3Molecular dynamics study of a mosquito larvicidal protein Cry4Aa toxin from Bacillus thuringiensis in its trimeric form Kanchanawarin, C. INV-3INV-4Molecular Modeling of Low Energy Ion Bombardment/Plasma Treatment in Polymer Design Nimmanpipug, P. INV-4INV-5Molecular Dynamics Sinulations of Antibody ScFv Fragments without Disulfide Bond Lee, V. S. INV-5INV-6Effects of Residues Changes on Human Receptor Binding Affinity of H1N1 Hemagglutinins Insights from Molecular Dynamics Simulation Nunthaboot, N. INV-6INV-7Computer-based methods in drug design how useful are they? Sippl, W. INV-7INV-8Concerns, recent outbreak and molecular insight into H5N1 and pandemic H1N1-2009 influenza A viruses Rungrotmongkol, T. INV-8Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Parallel Sessions Computational Biology A00007Developing Predictive Models for Dengue Haemorrhagic Fever Incidence Rate in Chiang Rai, Thailand Wongkoon, S., Jaroensutasinee, M., and Jaroensutasinee, K. 1A00008Cluster Analysis of Temperature-Relative Humidity Data at Mt. NOM Cloud Forest Pheera, W., Jaroensutasinee, K., and Jaroensutasinee, M. 7 A00009Developing Business Intelligent Tools for NBIDS Coral Database System Noonsang, P., Jaroensutasinee, M., and Jaroensutasinee, K. 13A00013 Mark-Recapture Model Testing for Indo-Pacific Humpback Dolphin Population at Khanom Sea, Nakhon Si Thammarat Jutapruet, S., Jaroensutasinee, K., and Jaroensutasinee, M. 19A00014Predicting Functional Pathway of Nevirapine inducing Skin Adverse Drug Reaction in HIV-infected Thai Patients with Integrated Biological Networks Narathanathanan, T., Prom-on, S., Chantratita, W.,and Mahasirimongkol, S. 25A00015RNA Secondary Structure Prediction Using Conditional Random Fields Model Subpaiboonkit, S., Thammarongtham, C., Cutler, R.,and Chaijaruwanich, J. 31A00016Sea Surface Temperature Declines at Coral Sites Using Field Sensors and NOAA Data Chumkiew, S., Jaroensutasinee, M., and Jaroensutasinee, K. 32A00017A Conditional Random Fields-Based for CpG islands prediction in Rice Udomwong, P., Lee, V. S., Anuntalabhochai, S., and Chaijaruwanich, J. 39A00019A study of niche adaptation in Cyanobacteria via evolutionary scenario of photosynthetic machinery Wanchai, V., Prommeenate, P., Paithoonrangsarid, K., Hongsthong, A., Senachak, J., Panyakampol, J., Plengvidhya, V., and Cheevadhanarak, S. 44A00021Cross Association of Sea Surface Temperature of 13 Sites in Thailand Kuhapong, U., Jaroensutasinee, K., and Jaroensutasinee, M. 50A00025Automatic Measurement of Plant Growth Using Region Growing Method Chuai-Areee, S., Siripant, S., and Jaeger, W. 51A00027The estimation of SNP-SNP interaction in pooled DNA Engchuan, W., Prom-on, S., Chan, J. H.,and Meechai, A. 59Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 A00028Effects of RNA Quality on Gene Expression Functional Profiles Treepong, P., Prom-on, S., Chan, J. H., Meechai, A.,and Hirankarn, N. 65A00033Estimating Carbon Sequestration of J. curcas L. from Plant CO2 Assimilation and Dry Matter Accumulation Thongbai, P., Hadiwijaya, B., and Sengkeaw, P. 71A00036Using MM-PBSA Method to Further Understand Molecular Interaction in Large Ribosomal Subunit-Macrolide System Yam, W.K. and Wahab, H. A. 77A000393D Pharmacophore and Molecular Docking of AFB Metalloprotease and Peptide Analogs for Novel Antimicrobial Inhibitors Krongdang, S., Chantawannakul, P., Nimmanpipug, P., and Lee, V. S. 84ComputationalChemistry A00003Monte Carlo Simulation of Two-component Bilayers with Interlayer Coupling Sornbundit, K., Ngamsaad, W., Triampo, D.,and Triampo, W. 85A00005Virtual screening for inhibitors on isocitrate lyase of Mycobacterium Tuberculosis with NADI database Lee, Y. V., Choong, Y. S., and Wahab, H. A. 92A00010Isoniazid Resistance in Mycobacterium Tuberculosis Inha Mutants Choong, Y. S. and Wahab, H. A. 98A00012Membrane Protein Simulation: A Case Study on Selected Hypothetical protein from Klebsiella pneumoniae MGH78578 Choi, S. B., Normi, Y. M., and Wahab, H. A. 99A00020Finding new lead compound for anti-cancer drug by using in silico screening technique Bangphoomi, K. and Choowongkomon, K. 106A00022De novo Design of HIV-1 Reverse Transcriptase Inhibitor against K103N/Y181C Mutant: Bioinformatics Approach Yongpisanphop, J., Saparpakorn, P., Hannongbua, S., and Ruengjitchatchawalya, M. 112A00024Molecular Modeling of Peroxidase and Polyphenol Oxidase : Substrate Specificity and Active Site Comparison Nokthai, P., Shank, L., and Lee, V. S. 118B00003Hybrid Quantum Mechanical/Molecular Mechanical studies on Two Families of cis,cis-Muconate Lactonizing Enzymes Somboon, T., Gleeson, M. P., and Hannongbua, S. 119Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 B00004Kinetics of the Hydrogen AbstractionCl + Alkane HCl + Alkyl Reaction Class:An Application of the Reaction Class Transition State Theory Piansawan, T., Sattayanon, C., Daengngern, R., Yakhantip, T.,Kungwan, N., and Truong, T. N. 120B00006Structure Based Drug Design for Swine Flu Chemotherapeutics New Neuraminidase Inhibitors from Plants Natural Compounds Ikram, N. K. K. andWahab, H. A. 121B00007QM/MM dynamics of HCOO--water hydrogen bonds in aqueous solution Payaka, A. and Tongraar, A. 122B00008Quantum Mechanics Simulation on Structure of 7-Azaindole(Methanol)2 Cluster and Excited-State Triple-Proton Transfer Reactions in the Gas Phase Daengngern, R., Barbatti, M., and Kungwan, N. 130B00011Computational Studies On The Structural Conformations ofN-Benzoyl-N-p-Substitued Phentlthiourea Derivatives Deraman, R. , Mohamed-Ibrahim, M. I., Sulaiman, S., Ang, L. S. , and Hussim, M. H. 135B00012Crystal structures and DFT studies on [TpPh2Ni(S2CNR2)] (R = Et, Bz) and [TpPh2Ni(S2Cpyr)] Dokmaisrijan, S., Harding, P., and Harding, D. 140B00014Computer Study for Characterization of Porous Solid using Accessible Pore Volume Concept Klomkliang, N., Wongkoblap, A., Tangsathitkulchai, C., and Do, D.D. 141B00016Direct QM/MM simulations of excited state dynamics of Rhodopsin chromophore in different environments Punwong, C. and Martnez, T. J. 150B00017Virtual Screening on Neuraminidase Inhibitors activity of plant- derived natural products by using Pharmacophore Modelling and Docking Muchtaridi and Wahab, H. A. 151B00019Electronic and Mechanical Properties on B-N DopedSingle-wall Carbon Nanotubes Vongachariya, A., Parasuk, V. , and Bovornratanaraks, T. 159B00020Mutation of Hemagglutinin H5 can change recognition to human sialic acid-2,6-galactose using in silico technique Kaiyawet, N., Rungrotmongkol, T., Malaisree, M., Decha, P.,Sompornpisut, P. , and Hannongbua, S. 160B00021A Comparative Study of Structural and Binding Affinity of Pyrrolidinyl PNA and DNA Using MD Simulations Meeprasert, A., Kaiyawet, N., Rungrotmongkol, T., Sompornpisut, P.,and Hannongbua, S. 161Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 B00022Theoretical Study of Organic Molecules Use in Dye-Sensitized Solar Cell (DSSC) Based on Time Dependent-Density Functional Theory (TD-DFT) Yakhantip, T., Jungsuttiwong, S., and Kungwan, N. 162B00027Classification of Thai Fragrant Rice (Oryza sativa) Using Gas Chromatographic Profiles in Conjunction with Statistical Methods Prasittichok, K., Prasitwattanaseree, S., and Wongpornchai, S. 163B00030The effect of electron-donating groups on the conducting property of polythiophene derivatives using PBC calculation Krasienapibal, T. S., Itngom, P., Ekgasit, S., Ruangpornvisuti, V. , and Vchirawongkwin, V. 170B00033QM/MM Study On The Catalytic Mechanism of Family 18 Chitinase Jitonnom, J., Nimmanpipug, P., Mulholland, A.J., and Lee, V.S. 174B00034Theoretical Study of Li and Li+ intercalated in Double-Walled Carbon Nanotubes Udomvech, A., Page, A. J., Kerdcharoen, T., and Morokuma, K. 175B00035Molecular Calculation of Plasma Treatment Efficiency on PMMA and FRC as Denture Materials Sangprasert, W., Lee, V. S., Boonyawan, D., and Nimmapipug, P. 176B00037To the best estimation of reaction barriers for proton exchange reactions of C1-C4 alkanes in ZSM-5 zeolite Sukrat, K., Parasuk, V., Tunega, D., Aquino, A. J. A., and Lischka, H. 177B00038Neuraminidase Inhibitor Identification by Pharmacophore Modelling and Docking from NADI-VA compound Asaruddin, M. R. and Wahab, H. A. 178B00040MD simulation of Nafion surface modification by Ar+ bombardment Yana, J., Lee, V. S., Vannarat, S., Dokmaisrijan, S., Medhisuwakul, M., Vilaithong, T., and Nimmanpipug, P. 179B00041Influence of the silanol groups on the external surface of silicalite-1 on the adsorption dynamics of methane Thompho, S., Chanajaree, R., Remsungnen, T., Fritzsche, S., and Hannongbua, S. 180B00042Virtual Screening and Binding Free Energy Calculation for Inhibitors of Dengue Virus NS2B/NS3 Protease Wichapong, K., Pianwanit, S., Sippl, W., and Kokpol, S. 181B00045Loading of Doxorubicin on Single-Walled Carbon Nanotube by MD Simulations Sornmee, P., Arsawang, U.,Rungrotmongkol, T., Saengsawang, O., Intharathep, P., Sukrat, K., Remsungnen, T.and Hannongbua, S. 182B00046Molecular Dynamics Simulations of GEMZAR encapsulated in carbon nanotube Arsawang, U., Sornmee, P., Saengsawang, O., Rungrotmongkol, T., Intharathep, P., Pianwanit, A., Remsungnen, T., Hannongbua, S. 188Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 B00050Computational studies of HIV-1 Reverse Transcriptase Inhibitors: as a Molecular Basis for Drug Development Decha, P., Intharathep, P., Udommaneethanakit, T., Sompornpisut, P., Hannongbua, S., Wolschann, P.,and Parasuk, V. 189B00051Docking of Dengue Virus Methyltransferase Inhibitor from Nadi Database (In House Malaysian Medicinal Plant Database) Nawi, M. S. M., Wahab, H. A., Rahman, N. A.,and Hamid, S. A. 190B00053Investigating the Binding of Arylamide Derivatives as Tuberculosis Agent in InhA using Molecular Dynamics Simulations Punkvang, A., Wolschann, P., Beyer, A., and Pungpo, P. 191B00054Proton transfer reactions and dynamics atsulfonic acid groups of Nafion Phonyiem, M. and Sagarik, K. 196B00055Proton Conduction at Sulfonate Group of NafionLao-ngam, Ch. and Sagarik, K. 201Computational Mathematics C00002A Numerical Computation for Water Quality Model in a Non-Uniform Flow Stream Using Maccormack Scheme Pochai, N., Konglok, S. A., and Tangmanee, S. 202C00004Tidal Analysis with Error Estimates: Local and Repositories Variations Sirisup, S., Tomkratoke, S.,and Harnsamut, N. 203C00009Comparison of Reversible Feature Extraction Techniques Applied to Anatomical Shape Modelling Chiverton, J. 209C00011A Comparative Study of Conjugate Gradient Method for Unconstrained Optimization Rivaie, M., Mamat, M., Mohd, I., and Fauzi, M. 214C00013A Matrix Partitioning Technique for Distributed Solving Large Linear Dense Equations Promsuwan, P. and Charnsethikul, P. 220C00014Filling incomplete wind speed data by using kriging interpolation Siridejachai, S., Ruttanapun, C., and Vannarat, S. 229C00015On linearization of stochastic ordinary differential equations Meleshko, S.V.and Shulz, E. 234C00020A Study on Numerical Methods for Mean-Reverting Square Root Processes with Jumps Sirisup, S., Tanadkithirun, R., and Wong, K. 235Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 G00072Filter Rules and Thai big capital stocks trading Naknoi, S. andKittiwutthisakdi, K. 241Computational Physics C00012Two-Dimensional Bisoliton Model in Cuprates Chanpoom, T. 247D00003Vacancy-mediated dynamics with quenched disorder in binary alloy: Monte Carlo simulations and dynamic scaling Pattanasiri, B., Nuttavut, N., Triampo, D., and Triampo, W. 253D00005Numerical Investigations of the Distributions of Elementary Excitations of the Bimodal Ising Spin Glass Jinuntuya, N. and Poulter, J. 254D00007The Effects of Dangling Bond Terminators in MOF-5 Hussim, M. H., Sulaiman, S., Mohamed-Ibrahim, M. I., Deraman, R., and Ang, L. S. 258D00008Hyperfine Interactions of Muonium in Graphene Ang, L. S., Sulaiman, S., and Mohamed-Ibrahim, M. I. 263D00009First Principle Investigations of Electronic Structures and Hyperfine Interactions of Muonium in Tetraphenylmethane Sulaiman, S., Mohamed-Ibrahim, M. I. , Toh, P., Ang L. S. , and Jayasooriya, U. A. 269D00010Diffusion of Galactic Cosmic Rays in an Interplanetary Magnetic Flux Rope Krittinatham, W., Ruffolo, D., and Bieber, J. W. 274D00011Effect of Magnetic Turbulence Structure on the Parallel Transport of High Energy Particles Buachan, C., Ruffolo, D., Siz, A., Seripienlert, A., and Matthaeus, W. 275D00012Secondary Neutrons from Cosmic Rays in Earths Atmosphere above the Princess Sirindhorn Neutron Monitor Kamyan, N., Ruffolo, D., Siz, A., and Tooprakai, P. 276D00015Collimation of Particle Beams by Two-Dimensional Turbulent Structure Seripienlert, A., Tooprakai , P., Ruffolo, D., Chuychai, P.,and Matthaeus, W. H. 281D00016Computational Classification of Cloud Forest Using Atmospheric Data from Field Sensors Sangarun, P., Pheera, W., Jaroensutasinee, K., and Jaroensutasinee, M. 282D00017Band structures and thermoelectric properties of CuAlO2 from first-principles calculations Poopanya, P. and Yangthaisong, A. 287Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 D00018Electronic Structures and Thermoelectric Properties of SrTiO3 Chanapote, T., Yangthaisong, A., and Vannarat, S. 293D00020The Study of Illuminance and Thermal Effect in High Power LED Arrays Premvaranon, P., Pratumwal, Y., Teralapsuwan, A.,and Soparat, J. 299D00022The Critical Temperature of Transition Energy of Single Quantum Well Techitdheera, W., Kulsirirat, K., and Pecharapa, W. 308D00028Refinement of a One-Dimensional Modulated Structure Somphon, W., Haller, K.J. and Oeckler, O.M. 314D00031Solvation in 3-[(2-hydroxyethoxy)-methyl]-6-methyl-3H-imidazolo [1,2-a]purin-9(5H)-one dihydrate; C11H13N5O32H2O Meepripruek, M. and Haller, K. J. 315D00037Molecular and Supramolecular Structure of Fe(OEP)picrate Puntharod, R., Haller, K. J., and Wood, B. R. 316D00040Redetermination of the Structure of the Radical Cation of 9,9-Bis-9-azabicyclo[3.3.1]nonane Haller, K. J. and Boonkon, P. 317D00041Phase Characterization and Saturation Modeling of the Calcium Phosphate-Arsenate Apatite System Dungkaew, W., Saisa-ard, O., and Haller, K. J. 318D00042Phase Characterization and Saturation Modeling of the Calcium-Lead Phosphate Apatite System Saisa-ard, O., Dungkaew, W., and Haller, K.J. 324D00043Order-Disorder Structure in a New Zinc Oxovanadate, Zn(Im)4][V2O6] Krachodnok, S., Haller, K.J.,and Williams, I. D. 325D00044The Defect Generated in PN Junction Analysis by the Arrhenius Activation Energy Technique Pengchan, W., Cheirsirikul, S., Phetchakul, T., Ruangphanit, A., and Poyai, A. 326D00046Diagnostics of Ion Implantation with 0.8 micron CMOS Technology based on TCAD Simulation Pengchan, W., Cheirsirikul, S., Phetchakul, T., Ruangphanit, A., and Poyai, A. 331D00047Electronic structures of CoSb3 calculated by first principle method Srisaikum, A., Yangthaisong, A., and Tanpipat, N. 336D00048The Effect of the Coulomb Interaction and Exchange Interaction on Spin Magnetic Moment of MnO Thassana, C. and Techitdheera, W. 341Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 D00056First-principles study of cubic perovskites Ba1-xSrxTiO3 Chaiyarat, W.and Yangthaisong, A. 345D00061On the Estimation of Solar Particle Fluence at Jupiter's Orbit Siz, A., Ruffolo, D., Bieber, J. W., and Evenson, P. 346D00062First principle study on the optical band-edge absorption of Fe-doped SnO2 Pabchanda, S., Putpan, J., Laopaiboon, R.,and Yangthaisong, A. 347Computational Fluid Dynamics and Solid Mechanics C00005Pressure Distribution along the Silo Wall Chuayjan, W.,Wiwatanapataphee, B., Wu, Y. H., and Tang, I.M. 348E00001Linear and weakly nonlinear solutions of subcritical free-surface flow over submerged obstacles Guayjarernpanishk, P. and Asavanant, J. 349E00003Coastal Simulation of the Gulf of Thailand: Effects of tidal forcing Tomkratoke, S., Vannarat, S., and Sirisup, S. 350E00004Multiphysics Analysis of Gas Turbine Blade Cooling using Computational Fluid Dynamics (CFD) Srimungkala, A., Dechaumphai, P., and Juntasaro, V. 356E00005Computational Study of Totally Enclosed Fan Cooled System in an Electric Induction Motor Soparat, J. , Benyajati, C., Pitaksapsin, N., Wattanawongsakun, P., and Phuchamnong, A. 362E00006Numerical Simulation of Two-Phase Flows and Heat Transfer in Continuous Steel Casting Process Mookum, T., Wiwatanapataphee, B., Wu, Y. H.,and Orankitjaroen, S. 369E00007Forecasting Tropical Cyclone Movement by Neural Network Kanbua, W., Khetchaturat, C., and Visuthsiri, K. 370E00008Analysis of Coastal Erosion by Using Wave Spectrum Kanbua, W., Khetchaturat, C., and Chuai-aree, S. 377E00010Characterisation of Non-linear Viscoelastic Properties via Indentation Techniques Gamonpilas, C., Charalambides, M.N., and Williams, J. G. 385E00013Semi-Solid Die Casting Mold Development Utilizing CAE Technique Viriyarattanasak, P., Koichi, A., Masayuki, I., and Osamu, N. 391E00018Numerical Simulation of the Fluid Flow Past a Rotating Torus Suwannasri, P.and Moshkin, N. P. 398Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 E00021VirtualFlood3D : Software for Simulation and Visualization of Water Flooding Busaman, A., Chuai-Aree, S., Kanbua, W., and Siripant, S. 399E00022Kinematics and Dynamics of Coherent Structures within a Turbulent Spot in Plane Channel Flow Juttijudata, V. 400E00023Towards an Extension of the SST-k- Model for Transitional Flow Ngiamsoongnirn, K., Malan, P., and Juntasaro, E. 411E00027Inelastic Transient Dynamic Analysis by BEM Using Domain Decomposition Phansri, B., Park, K., and Warnitchai, P. 412High Performance Computing and Grid Computing F00001Multi-GPUs Voxelization of 3D Data Khantuwan, W. and Khiripet, N. 417F00002Simulation Study of Channel Engineering Design for Sub Micrometer Buried Channel PMOS Devices Ruangphanit, A., Phongphanchanthra, N., Klungien, N., Muanglhua, R.,Niemcharoen, S., and Khunhao, S. 423F00006Parallel Program Development for Tsunami Simulation with the Message Passing Interface Thawornrattanawanit, S., Virochsiri, K., Muangsin, V., and Ruangrassamee, A. 429F00007Optimization of Geometry of LOCOS Isolation in Sub micrometer CMOS by TCAD Tools Phongphanchantra, N., Pengchan, W., Atiwongsangthong, N. and Ckeersirikul, S. 436F00009Solving Nanocomputing Problem via Misic Inspired Harmony Search AlgorithmSujaree, K., and Wacharanad, S. 441F00010Effective Workload Management Strategies for a Cloud of Virtual Machine Noppakuat, N. , Seangrat, J., and Uthayopas, P. 442F00011Two-Level Scheduling Technique for Mixed Best-Effort and QoS Job Arrays on Cluster Systems Kijsipongse, E., U-ruekolan, S., and Vannarat, S. 448F00012Solving Magnetic Sounding Integral Equations from Multilayer Earth Using Message Passing Interface Dolwithayakul, B., Chantrapornchai, C., and Yooyeunyong, S. 454F00013Parameters Self-Tuning Technique for Large Scale Scheduler Phatanapherom, S. and Uthayopas, P. 460Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 F00014Performance Evaluation of Cache Replacement Policies for High-Energy Physic Data Grid Phengsuwan, J. and Nupairon, N. 464F00015Modeling and Simulation of Large-scale Virtualization based on the CloudSim Toolkit Banjongkan, A., Prueksaaroon, S., Varavithya, V., and Vannarat, S. 471F00016Impact of Workloads on Fair Share Policies Vasupongayya, S. 478F00019Automatic Predictive URL-Categories Classification to UM Model using Decision Tree Model Silachan, K. 484Computational Science and Engineering G00002Use of Genetic Algorithm in Computing the Capacity of a Discrete Memoryless Channel and Corresponding Symbol Probability Distribution Anpalagan, A. and Sabri, M. 490G00003Image Processing for Rice Diseases Analysis Distsatien, A., Wilaisil, W., and Toadithep, N. 494G00006Decision Tree Era Classification of Ancient Thai Inscriptions Khiripet, J. and Khiripet, N. 501G00008Natural Scene Matching using Inexact Maximum Common Subgraph Boonsin, R. and Khiripet, N. 505G00013Wind Circle 3D Visualization of Direction Weather Data Siripatana, A.,Jaroensutasinee, K., and Jaroensutasinee, M. 511G00025Adaptive Window Size for Spatial Image Segmentation Uttama, S. 517G00026Developing Dashboard Decision Support System For Subdistrict Administration Organization Network Jinpon, P.,Jaroensutasinee, M., and Jaroensutasinee, K. 518G00027Noise Reduction of Ancient Document Images Watcharabutsarakham, S., Marukatat, S., and Sinthupinyo, S. 524G00034Determining Appropriate Parameter Setting of Firefly Algorithm Using Experimental Design and Analysis Rukwong, N., Pansuwan, P. and Pongcharoen, P. 529G00038Decision Support System for Prediction Air Temperature in Northern Part of Thailand by using Neural Network Kanbua, W. and Khetchaturat, C. 535Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 G00039Probabilistic Knowledge Discovery from Medical Databases Kerdprasop, N. and Kerdprasop, K. 543G00041Classify Freshwater Fish Using Morphometric Analysis and Image Processing Technique Khamchuay, P., Jaroensutasinee, K., and Jaroensutasinee, M. 549G00059Misalignment Compensation of Sheet Metal Forming Tool by Loop-shaping Controller Poodchakarn, S.Sriprapai, D., Budcharoentong, D., Saimek, S., and Thanadngarn, C. 554G00062Model Based Motor Vehicle Segmentation and Type Classification Using Shape Based Background Subtraction Chiverton, J.and Uttama, S. 565G00063Histogram Specification for Variable Illumination Correction of Face Images Chiverton, H. and Chiverton, J. 571G00066 Data Hiding and Security for Printed Documents Chotipanbandit, P. and Vongpradhip, S. 575G00068The Geometry and Electronic Structures of Functionalized Single-Walled Carbon Nanotubes by Carboxyl Groups on Perfects and Defect Tubes Lokavee, S., Udomvech, A., and Kerdcharoen, T. 581G00070An Improvement of Rainfall Estimation in Thailand Using FY-2C Numerical Data Sa-nguandee, I., Raksapatcharawong, M., and Veerakachen, W. 587G00075Survey of Metaheuristic Methodology for Solving Container Loading Problem Khamkaew, R. and Somhom, S. 593G00080Variation Analysis of Neural Network Based Approximation Function Pongjanla, S. and Anussornnitisarn, P. 598G00081Artifitial Neural Network and Kriging Model Approximatios for The Deterministic Output Response Rungrattanaubol, J., Nakjai, P., and Na-udom, A. 603G00082Analysis of Centers Initialization on K-means Performancein Clustering Problem Sukhasem, R.and Anussornnitisarn, P. 610G00089Structural Model of Blood Vessels in Heart Using Lindenmayer Systems Ritraksa, S., Chuai-Aree, S., and Saelim, R. 619G00090Multilayer Neural Networks for contacting load model of Distributive Tactile Sensing Nakjai, P.and Rungrattanaubol, J. 626Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 G00091Public Transport Route Design for Minimal Energy Consumption Charoenroop, N., Nilthong, R., and Eungwanichayapant, A. 632G00093Automatic Vessels Edge Detection for Low-Contrast Babys Retinal Images Suapang, P., Chuwhite, M. and Nghauylha, W. 641G00094Image Acquisition and Image Processing Program for Dermatology Camera Suapang P., Mueanpong, D., Sanglub, S., and Haomao, B. 646G00095Image Acquisition and Image Processing Program for Firearms and Toolmarks Comparision in Forensic Science Suapang, P.,Prasitsathapron, C., and Janpuk, S. 652G00110Subgraph Isomorphism Search for Network Motif Mining Khiripet, J., Khantuwan, W., and Khiripet, N. 658G00114On Applying Simple Data Compression to Wireless Sensor Networks Sornsiriaphilux, P., Thanapatay, D., Kaemarungsi, K., and Araki, K. 662G00115Facial Reconstruction from Skull Namvong, A. and Nilthong, R. 668G00116Online Object Detection Program Using Fast Image Processing Charawae, N., Chuai-Aree, S., Wikaisuksakul, S. 675G00119Exploration of Parallelism in Developing Fuzzy Applications Chantrapornchai (Phongpensri), C. and Pipatpaisan, J. 676G00120Determination of Sequence-Similarity Kernel Function for Support Vector Machines in Classification of Influential Endophytic Fungi in Rice on Bakanae Disease Mekha, P. and Chaijaruwanich, J. 677G00122Digital Watermarking with 2D Barcode and General Watermark using DCT for JPEG Image Somkror, B. and Boonchieng, E. 678G00123One-Dimensional Hydrodynamic CalibrationStudy of Mae Lao River Flow Sairattanain, S., Nilthong, R., Eungwanichayapant, A., and Saenton, S. 683G00128Development of Real-Time Short-Term Traffic Congestion Prediction Method Hi-ri-o-tappa, K., Pan-ngum, S., Narupiti, S., and Pattara-Atikom, W. 689G00129Clustering of Search Results: A Case Study of Thai-Language Web Pages Sukriket, P., Sangchai, C., Saovapakhiran, P., Surarerks, A., and Rungsawang, A. 703G00131A Modified Version of Adaptive Arithmetic Encoding Algorithm Wiengpon, A. and Surarerks, A. 709Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 G00132Application of Optical Data Glove to Hand Gesture Interpretation Kumkurn, T. and Eua-anant, N. 715G00133Improved Image Watermarking using Pixel Averaging Pramoun, T. and Amornraksa, T. 716G00134Flexible Grammar Recognization Algorithm Rujeerapaiboon, N., and Surarerks, A.

722G00135Classification of Loan Borrowers of National Pension and Provident Fund of Bhutan: A Case Study Wangdi, K., Prayote, A., Phalavonk, U. 728G00137Implementation of QRS detection with Python on Linux system Suwansaroj, C.,Thanapatay, D., Thanawattano, C.,and Sugino, N. 729G00138Parallel Additive Operation in Flexible Interval Representation System Worrasangasilpa, K., Jarangkul, W., and Surarerks, A. 730G00139Web Spam Recognization by Edge Label Wongsarasin, W., Rungsawang, A., and Surarerks, A. 737G00140Enhanced Image Watermarking Using Adaptive Pixel Prediction and Local Variance Nudklin, P. and Amornraksa, T. 743G00141KML Generator for Visualizing of Numerical Results from Weather and Ocean Wave Simulation in Google Earth API Chuai-Aree, S. and Kanbua, W. 750G00143Power Management for WLAN DAM Environmental Monitoring System Wongsamran, P., Araki, K., Keinprasit, R., Lewlomphaisarl, U., and Kasetkasem, T. 751G00151Thai Numeric Hand Written Character Recognition by Counter propagation and Hopfield Neural Network Waiyawut, W. 758G00152A Novel Hybrid Clustering Method for Customer Segmentation Dorji, S. and Meesad, P. 759G00156Development of Mobile Robot Based on Differential Drive Integrated with Accelerometer Panich, S. 765G00160Credit Application Classification: A Case Study of National Pension and Provident Fund of Bhutan Wangdi, K., Prayote, A., and Phalavonk, U. 772G00164Development of Free Bulge Test Tooling for Flow Stress Curve Determination of Tubular Materials Boonpuek, P., Jirathearanat, S., Depaiwa, N., and Ohtake, N. 779Contents ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Author Index 789 ANSCSE 14 COMMITTEE 795 ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 KY-1 Transforming Computational Science with CUDA Mark Harris NVIDIA Corporation Modern GPUs provide a level of massively parallel computation that was once the preserve of specializedsupercomputers.NVIDIAslatestGPUsarefullyprogrammable,massively multithreadedprocessorswithhundredsofscalarprocessorcorescapableofdelivering hundredsofbillionsofoperationspersecond.TheNVIDIACUDAarchitectureprovidesa parallel programming model that enables developers to program GPUs in C, C++, and Fortran, aswellasspecializedGPUComputinglanguagessuchasOpenCLandMicrosoft DirectCompute.Researchers across many scientific and engineering disciplines are using this platform to accelerate important computations by up to 2 orders of magnitude. Inthistalk,wewillprovideanoverviewofNVIDIAGPUarchitecturesandexplorethe transitionGPUComputingrepresentsinmassivelyparallelcomputing:fromthedomainof supercomputerstothatofcommoditymanycorehardwareavailabletoall.Wewillalso introduceCUDA,ascalableparallelprogrammingmodelandsoftwareenvironmentfor parallel programming. By providing a small set of readily understood extensions to the C/C++ languages,CUDACallowsprogrammerstofocusonwritingefficientparallelalgorithms without the burden of learning a multitude of new programming constructs. Finally,wewillexaminetheuseofGPUcomputinginavarietyofComputationalScience applications,anddiscuss howtherapidevolutionof GPUhardwarehasenabledatransition frombrute-force parallel number crunching to theefficient use of sophisticated parallel data structures that make possible much more complex simulations. KY-2 ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Harmonic Combination of Computer Simulation and Experimental Technique for the Study of Structure-Property Relationship of Crystalline Polymers Kohji Tashiro Department ofFuture Industry-Oriented Basic Science and Materials, Toyota Technological Institute, Tempaku, Nagoya 468-8511, Japan e-mail: ktashiro@toyota-ti.ac.jp;Fax: +81-(0)52-809-1793;Tel. +81-(0)52-809-1790 ABSTRACT Fordevelopingthepolymermaterialswithexcellentphysicochemicalproperties,itis neededtoclarifytherelationshipbetweenstructureandpropertiesofthesepolymers. Inparticular,theinformationoncrystalstructureisthemostimportantasthebasic knowledge to understand the characteristic features of polymer aggregation state.Since thecrystallineregionitselfismoreorlessdisorderedandsmallinsize,thedirect determinationofcrystalstructureisquitedifficultbecauseofpoorX-raydiffraction data.It is rather useful to combine the various techniques together including the X-ray diffraction, vibrational spectroscopy, etc.Especially the computer simulation technique ishighlyusefulforaidingthestructuredeterminationprocessbasedontheX-ray diffraction data.In these few decades we have been challenged to develop a new idea tocombinetheexperimentalandsimulationmethodsinaharmonicway.Somecase studieswillbeshownheretoemphasizetheusefulnessofcomputer-aidedmethodto clarify the structure-property relationship of crystalline polymers. (1)DisorderedChainPackingModeofPBOfiberPoly(p-phenylene benzobisoxazole)(PBO)isoneofthestrongestsyntheticfibers.Thecrystalstructure wasanalyzedsuccessfullyonthebasisoftheorganizedcombinationofpoorX-ray diffraction data and computer simulation method.The chains were found to be packed with a so-called registered disorder about the relative height [1]. (2)Computer-aidedPredictionofCrystalPhaseTransitionsinNylon10/10This polymershowsthephasetransitionsatthetwostages.Oneistheso-calledBrill transitioninwhichthemethylenesegmentsaredisorderedwithkeepingthe intermolecular hydrogen bonds.Another phase transition was newly discovered in the temperatureregionimmediatelybelowthemeltingpoint,wheretheintermolecular hydrogenbondswerebrokenandthethermally-activatedmolecularchainmotions occurredviolently.Themoleculardynamicscalculationhadpredictedthis experimentally-found structural transition reasonably [2]. (3)AccurateTheoreticalEvaluationofMechanicalPropertyofPolymerCrystals Theanisotropyinmechanicalpropertyofpolymercrystalsisingeneralgovernedby intermolecularnonbondedH...Hinteractions.Theprecisedeterminationofhydrogen atomic positions is important for the accurateprediction of mechanical property.The wide-angle neutron diffraction combined with the X-ray diffraction has made it possible to get the accurate hydrogen atomic positions successfully, from which the quantitative theoretical evaluation of anisotropic elastic constants have been made successfully [3]. KY-2 ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 (4) Computer Prediction of Packing Modes of Low-molecular-weight Model CompoundsForanalyzingthecrystalstructureofpolymersubstances,the structuralinformationoflow-molecular-weightmodelcompoundsisquite useful.ThePolymorphPredictor(Accelrys,USA)hasmadeitpossibleto predict the accurate crystal structure of these compounds.The successful results wereobtainedforaseriesofmodelcompoundsofpoly(m-phenylene isophthalamide) and their new derivatives[4]. Keywords: Computer-aided Structure Analysis of Polymer Crystals, Crystal Structure Prediction by Computer Simulation Technique REFERENCES 1.K. Tashiro et al., J. Polym. Sci. Part B: Polym. Physics, 39, 1296 (2001). 2.K. Tashiro et al., Chinese Journal of Polymer Science, 25, 73 (2007). 3.K. Tashiro et al., Polym. J., 39, 1253 (2007).4.Piyarat Nimmanpipug et al., J. Phys. Chem.B. 107, 8343 (2003); 110, 20858 (2006). INV-1 ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 QM/MM Computational Studies of Metalloenzymes: Characterization of Elusive Intermediates and Elucidation of Reaction Mechanisms Hajime Hirao FukuiInstitutefor FundamentalChemistry,KyotoUniversity,JAPAN E-mail:hirao@fukui.kyoto-u.ac.jp,Tel:+81-75-711-7647 ABSTRACT Metallonzymespermitchemicallyverydifficultreactionstoproceedundermild conditions, and thereby play indispensable roles in a variety of biological activities. We canlearnalotfromtheiringeniousmachineriesthatarefinelytunedtoindividual catalyticreactions,andtheknowledge,inturn,wouldopenupnewavenuesfor practicalapplicationssuchasrationaldesignofpotentenzymeinhibitorsand developmentofpowerfulbiomimeticcatalysts.Tounderstandindetailthemolecular mechanismsofmetalloenzymes,wehavebeendoingcomputationalstudiesusing QM/MMapproaches,whichareabletocharacterizeevenunstableorshort-lived speciesinreactions,withtheeffectofproteinenvironmentadequatelytakeninto account. In particular, we are focusing on characterization of elusive intermediates and elucidationofreactionmechanisms,sincethesearekeyelementsforaglobal understandingofthecatalyticfunctionsofmetalloenzymes.Inthistalk,someofour recent work will be presented. REFERENCES 1. Insightsintothe(Superoxo)Fe(III)Fe(III)IntermediateandReaction Mechanism of myo-Inositol Oxygenase: DFT and ONIOM(DFT:MM) Study, H Hirao and K.Morokuma, J. Am. Chem. Soc. 2009, 131, 17206-17214. 2.Reactivity Patterns of High-Valent Iron-Oxo Speciesin Enzymes and Synthetic Reagents: A Tale of Many States, S. Shaik, H. Hirao, and D. Kumar, Acc. Chem. Res. 2007, 40, 532-542. 3. ReactivityPatternsofCytochromeP450Enzymes:Multifunctionalityofthe Active Species and the Two States Two Oxidants Conundrum, S. Shaik, H. Hirao,and D. Kumar. Nat. Prod. Rep. 2007, 24, 533-552 ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 INV-2 A Molecular Dynamics Study of Carbazole Derivatives as Universal Base Y. Tantirungrotechai1,C, T. Benchawan2, and U. Wichai 2 1 National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency Pathumthani, 12120, Thailand, 2 Department of Chemistry, Faculty of Science, Naresuan University, Phitsanulok, 65000, Thailand C E-mail: yuthana@nanotec.or.th;Fax: +66-2-564-6985;Tel. +66-2-564-7100 ext 6592 ABSTRACT Moleculardynamicssimulationswithconstanttemperatureandpressure(NPT)were carried out for the DNA duplex with 15 base pairs in explicit waters by using AMBER package.Abaseinthemiddlepositionofthestrandwassubstitutedbycarbazole derivativeswhichisdesignedtobefunctionedasauniversalbase.Equilibrium trajectoriesof1nanosecondshowthatthereisastructuralchangeintheduplex.A largefluctuationoccursinthecaseofcarbazole;thismightbeduetoitsnonpolar nature.In addition to a common hydrogen bonding configuration, a slip configuration was also observed for this universal base. The effect of nonpolar carbazole and its polar carbazole derivatives on the duplex structures will be discussed in terms of electrostatic and stacking interactions with neighboring base molecules. Keywords: Carbazole, MD, Universal base. INV-3 ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Molecular Dynamics Study of a Mosquito Larvicidal Protein Cry4Aa Toxin from Bacillus thuringiensis in Its Trimeric Form T. Taveecharoenkool1, C. Angsuthanasombat2, andC. Kanchanawarin3,C 1 Department of Immunology, Faculty of Medicine, Siriraj Hospital, Mahidol University, Bangkok, 10700, Thailand 2 Laboratory of Molecular Biophysics and Structural Biochemistry, Institute MolecularBiosciences, Mahidol University, Salaya Campus, Nakornpathom, 73170, Thailand 3 Biophysics Laboratory, Department of Physics, Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand C E-mail: fscicpk@ku.ac.th;Fax: 02-942-8029;Tel. 085-819-4455 ABSTRACT Cry4Aatoxinisoneofthemosquito-larvicidalproteinsproducedbyBacillus thuringiensis.Itisthought toformtrimericporesinthelarvalgutmembrane,causing membraneleakageandsubsequentinsectdeath.Inthisstudy,afull-atomicpre-pore structure of the Cry4Aa trimer was constructed by using the trimeric Cry4Ba coordinate oftheunitcellcrystalstructureasatemplate.Moleculardynamicssimulationsand MM-PBSA(MolecularMechanicsandPoisson-BoltzmannSurfaceArea)calculations were employed to show that the trimeric structure of Cry4Aa is stable in solution. The results also revealed that Cry4Aa toxin uses electrostatic and steric interactions between polar and charged residues on -helices 3, 4 and 6 to form trimer. We propose that pore formation of Cry toxins may involve a 90o-hairpin rotation during the insertion of three 4-5 hairpins into the membrane. Keywords:moleculardynamicssimulations,Cry4Aatoxin,trimericstructure,pore forming proteins, mosquito-larvicidal proteins REFERENCES 1.Boonserm P, Mo M, Angsuthanasombat C, Lescar J, J. Bacteriol. 2006, 188, 3391-3401. 2.Ounjai P, Unger VM, Sigworth FJ, Angsuthanasombat C, Biochem. Biophys. Res. Commun. 2007, 361, 890-895. 3.Ounjai P, Molecular biophysical study of the Bacillus thuringiensis Cry4Ba toxin pore structure. (PhD Thesis), Mahidol University, Institute of Molecular Biology and Genetics; 2007. INV-4 ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Molecular Modeling of Low Energy Ion Bombardment/Plasma Treatment in Polymer Design P. Nimmanpipug1, 2,C, V. S. Lee1,2, J. Yana1,W. Sangprasert1, and C. Ngaojampa1 1Computational Simulation andModeling Laboratory (CSML), Department of Chemistry and Center for Innovation in Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai, 50200, Thailand 2ThEP Center, CHE, 328 Si Ayutthaya Road, Bangkok 10400, Thailand CE-mail: piyaratn@gmail.com ;Fax: 6653-892277;Tel. 6686-0296430 ABSTRACT Molecular simulations and model compound were applied to the ion bombardment andplasmamodificationsformaterialdesignaspect.Combinationofmolecular dynamics,MonteCarlosimulation,anddensityfunctionaltheorywereutilizedto followphenomenaandproposeconsequenceofthetreatment.Varioustypesof materials:syntheticpolymer,biopolymer,andbiologicalhereditarymaterialwere investigated in this study. Molecular dynamics simulations of ion bombardment on perfluorinatedionomermembranes,acommercialfuelcellmembrane,wereused forinvestigationofstructuralchangerelatedtoimprovementinthefuelcell efficiency.Flameretardantandwaterresistancepropertiesofsilkafterlow temperature plasma treatment were clarified related to theoretical perspective using density functional calculations.Ion beam induced mutation experiments using low-energytobombardnakedDNAwereinvestigatedviaMonteCarloandmolecular dynamics simulations in vacuum. Keywords: Material design, Ion bombardment, Plasma treatment, Molecular dynamics simulation, Monte Carlo simulation, Density functional theory REFERENCES 1. Graves, D.B., Humbird, D. Applied Surface Science 2002, 192(1-4), 72-87. 2. Garrison, B.J., Delcorte, A., Krantzman, K.D. Accounts of Chemical Research 2000, 33(2),69-77. ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 INV-5 Molecular Dynamics Simulations of Antibody ScFv Fragments withoutDisulfide Bond V. S. Lee1, C, P. Nimmanpipug, K. Kodchakorn1, andC. Tayapiwatana2, 3, C

1Computational Simulation andModeling Laboratory (CSML), Department of Chemistry and Center for Innovation in Chemistry, Faculty of Science, 2Division of Clinical Immunology, Department of Medical Technology, Faculty of Associated Medical Sciences,3Biomedical Technology Research Unit, National Center for Genetic Engineering and Biotechnology, National Science and Technology Development Agency at the Faculty of Associated Medical Sciences, Chiang Mai University, Chiang Mai, 50200, Thailand CE-mail: vannajan@gmail.com ;Fax: 6653-892277;Tel. 6689-1100216 asimi002@hotmail.com;Fax: 6653-946043;Tel. 6681-8845141 ABSTRACT Intracellularly expressed antibody fragments(intrabodies) havebeenusedas powerful tools for clinical applications and for the functional analysis of proteins inside the cell. Amongseveraltypesof intrabodies, singlechain fragmentvariables (scFv) composed ofonlythevariableregions(VHorVL)ofantibodiesarethesmallestandthusthe easiest to design. However, normal antibody fragments do not form disulfide bonds in thecytoplasmandusually areunabletoachieveastablenativefoldintheabsenceof the disulfide bonds. Recently, the crystal structure of anti-RAS VH and VL fragments without disulfide bonds after substitution of cysteine residues and the wild type VH and VL with intact disulfide bonds showed no structural differences between the two types oftheVHand VL. Thereisgreatinterest inengineeringantibodyfragmentsthatwill foldandarestableunderreducingconditions,andthatcouldserveasframeworkto whichotherspecificities couldbegrafted.Wehaveundertakenamoleculardynamics simulationstoinvestigatethetwotypesofsuchsystemswithandwithoutdisulfide bonds.Thestructuralanalysisintermofdistancegeometryanalysis,hydrogenbond analysis, residue interactions, and binding affinity between the domain,were observed in order to explain the stability of the antibody scFv fragments without disulfide bonds. Keywords: Disulfide bond, Antibody engineering, ScFv fragment, Molecular dynamics simulation, Molecular modeling. REFERENCES 1. Tanaka, T. and Rabbitts, T. H., J. Mol. Biol, 2008, 376, 749757. 2. Biocca, S. and Cattaneo, A., Trends Cell Biol, 1995, 5, 248-252. 3. Biocca, S., Ruberti, F., Tafani, M., Pierandrei-Amaldi, P., and Cattaneo, A., Biotechnology,1995, 13, 1110-1115. INV-6 ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Effects of Residues Changes on Human Receptor Binding Affinity of H1N1 Hemagglutinins Insights from Molecular Dynamics Simulation N. Nunthaboot1,C, T. Rungrotmongkol2,3, M. Malaisree2, N. Kaiyawet2, P. Decha4, P. Sompornpisut2 and S. Hannongbua2,C 1Department of Chemistry, Faculty of Science, Mahasarakham University, Mahasarakham, Thailand 2Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok, Thailand 3Center of Innovative Nanotechnology, Chulalongkorn University, Bangkok, Thailand 4Department of Chemistry, Faculty of Science, Thaksin University, Phattalung, Thailand CE-mail: nadtanet@gmail.com, supot.h@chula.ac.th; Fax: 02-2187603; Tel. 02-2187603 ABSTRACT Therecentoutbreak ofthenovel 2009H1N1 influenzainhumans hasfocusedglobal attentiononthisviruswhichcouldpotentiallyhaveintroducedamoredangerous pandemicofinfluenzaflu.Intheinitialstepoftheviralattachment,hemagglutinin (HA), a viral glycoprotein surface, is responsible for the binding to the human SIA 2,6 linkedsialopentasaccharidehostcellreceptor(hHAR).Dynamicandstructural properties,basedonmoleculardynamicssimulationsofthethreedifferentHAsof Spanish 1918 (H1-1918), swine 1930 (H1-1930) and the novel 2009 (H1-2009) H1N1 boundtothehHAR,werecompared.InallthreeHAhHARcomplexes,major interactionswiththereceptorbindingweregainedfromHAresidueY95andthe conserved HA residues of the 130-loop, 190-helix and 220-loop. However, substitution ofthechargedHAresiduesK145andE227intothe2009HAbindingpocketwas foundtoincreasetheHA-hHARbindingefficiencyincomparisontothetwo previously recognized H1N1 strains. Changing of the non-charged HA G225 residue to a negatively charged D225 provides a larger number of hydrogen bonding interactions. Theincreaseinhydrophilicityofthereceptorbindingregionisapparentlyan evolutionary trend of the current pandemic flu from the 1918 Spanishand 1930 swine flues.Detailedanalysiscouldhelp theunderstanding ofhow differentHAeffectively attaches and binds with the hHAR. Keywords: H1N1, Hemagglutinin, sialopentasaccharide, Molecular Dynamics REFERENCES 1.Soundararajan, V., Tharakaraman, K., Raman, R., Raguram, S., Shriver, Z., Sasisekharan, V., and Sasisekharan, R.Nat. Biotechnol., 2009, 27, 510-513. 2.Stevens, J., Blixt, O., Tumpey, T. M., Taubenberger, J. K., Paulson, J. C., and Wilson, I. A. Science, 2006, 312, 404-410. 3.Gamblin, S. J., Haire, L. F., Russell, R. J., Stevens, D. J., Xiao, B., Ha, Y., Vasisht, N., Steinhauer, D. A., Daniels, R. S., Elliot, A., Wiley, D. C., and Skehel, J. J. Science, 2004, 303, 1838-1842 INV-7 ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 Computer-based Methods in Drug Design How useful are they? Wolfgang Sippl Department of Pharmaceutical Chemistry,Martin-Luther-University of Halle-Wittenberg,06120 Halle/Saale, Germany Email: sippl@pharmazie.uni-halle.de ABSTRACT Drugdiscoveryisamorecomplexproblemthanitwasinthepast,inpartduetothe factthattheetiologyofthediseasesweseektocontrolhavegrownincomplexity.In thepastmostdrugshavebeendiscoveredeitherbyidentifyingtheactiveingredient fromnaturalsourcesorbyserendipitousdiscovery.Anewapproachhasbeento understand how adisease iscontrolledat themolecular and physiological level andto target specific entities based on this knowledge. Theamountof datageneratedinatypicaldrugdiscoverystudycan easilyoverwhelm thescientistsresponsibleforguidingthestudy,whichemphasizestheimportanceof effectivetechniquesforthevisualizationandanalysisoftheselargedatasets. Nowadays,computer-basedapproachesassistthedesignandsynthesisofnovel compoundsaswellastheearlypredictionofphysico-chemicalpropertiesofdrug candidates.Amongthem,quantitativestructure-activityrelationships,pharmacophore modelling, docking and virtual screening are routinely applied to identify and optimize leadstructures.Anoverviewofcurrentlyappliedmethodsaswellasapplication examples from own research projects will be given [1-4]. REFERENCES 1. W. Sippl et al.Virtual Screening and Biological Characterization of Histone2.Methyltransferase Inhibitors PRMT1. ChemMedChem. 4, 69-77, 2009. 3.W. Sippl et al. Thiobarbiturates as Sirtuin Inhibitors: Structure-based Virtual Screening,4.Free Energy Calculations and Biological Testing. ChemMedChem 3, 1965-78, 2008. 5.W. Sippl et al. Generation of a homology model of the human histamine H3 receptor for ligand docking and pharmacophor based screening. J. Comput. Aided-Mol. Design. 21, 437451, 2007. 6.M. Jung et al. Target-based approach to inhibitors of histone arginine methyltransferases. J. Med. Chem. 50, 2319-2325, 2007. ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 INV-8 Concerns, Recent Outbreak and Molecular Insight into H5N1 and Pandemic H1N1-2009 Influenza A Viruses T. Rungrotmongkol1,2, M. Malaisree1, P. Intharathep1, P. Decha1 N. Nunthaboot3, C. Laohpongspaisan1, O. Aruksakunwong1, T.Udommaneethanakit1, S. Sompornpisut1 andS. Hannongbua1,C 1Computational Chemistry Unit Cell, Chulalongkorn University, Bangkok, 10330, Thailand 2Center of Innovative Nanotechnology, Chulalongkorn University, Bangkok, 10330, Thailand 3Department of Chemistry, Faculty of Science, Mahasarakham University, Mahasarakham, Thailand C E-mail: supot.h@chula.ac.th; Tel. 02-2187603 ABSTRACT ThisstudyaimsatgaininginsightintomoleculardetailsatNeuraminidase(NA), Hemagglutinin(HA)andM2proteinchannelofviralinfluenzaAH5N1andH1N1-2009. In NA, interest is focused on drugs inhibitory activity against the wild-type and mutatedN1strains.TheH1N1-2009viruswaspredictedtobesusceptibleto oseltamivir,withallimportantinteractionsbeingwellconserved.Lossofdrug-target interactionenergiesespeciallyintermsofelectrostaticcontributionsandhydrogen-bonds were established in the probable E119V and R292K. For both viruses, the known H274Ymutationconferredthehighoseltamivir-resistancewithdecreased hydrophobicity,pocketsizeandvdWinteractionsatthebulkygroup.Instead,N294S wasfoundtodemonstratemediumdrug-resistantlevel.Inaddition,combinatorial chemistrywasusedtofindpotentNAinhibitorsbasedontheoseltamivirand pyrrolidinescaffolds.InHAtarget,thelowandhighpathogenicforms(HPH5and LPH5) were carried out using MD simulations, aimed at understanding why HPH5 was experimentallyobservedtobe5-foldbettercleavedbyfurin.TheHPH5scleavage loopwasfoundtofitwellandbindstronglyintothecatalyticsiteofhumanfurin, serving as a conformation suitable for acylation process. Then, the HPH5-furin complex wasusedasthestartingstructureformechanisticinvestigationbyQM/MMmethod. The energy profileshowsaconcertedreactionof thefirst stepof acylation, known as the proton transfer and nucleophilic attack with a formation of tetrahedral intermediate. InvestigationwasalsoextendedtotheM2protonchannelwith/withoutadamantane boundinmanyprotonationstatesofselectivefilterresidueHis37,correspondingto channelconformations.TwomechanismsofdruginhibitingtheM2functionsare:(i) drugfacilitatingtheHis37simidazoletolieincloseconformationand(ii)actingas blockeratextracellularsite.Lossofdrug-M2interactionswasfoundtobeaprimary sourceofresistanceinthesinglemutantsofH5N1,andH1N1-2009containingthe S31N mutation. ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 INV-8 REFERENCES 1.Rungrotmongkol, T.; Malaisree, M.; Nunthaboot, N.; Sompornpisut, P.; and Hannongbua, S. Amino Acids, 2010, DOI 10.1007/s00726-009-0452-3. 2.Rungrotmongkol,T.;Intharathep,P.;Malaisree,M.;Nunthaboot,N.;Kaiyawet,N.; Sompornpisut,P.;Payungporn,S.;Poovorawan,Y.;andHannongbua,S.Biochem. Biophys Res. Commun., 2009, 385(3), 390-394. 3.Rungrotmongkol,T.;Frecer,V.;De-Eknamkul,W.;Hannongbua,S.,andMiertus,S. Antivir. Res., 2009, 82(1), 51-8. 4.Rungrotmongkol,T.,Decha,P.,Sompornpisut,P.,Malaisree,M.,Intharathep,P., Nunthaboot,N.,Udommaneethanakit,T.,Aruksakunwong,O.,andHannongbua,S., PROTEINs, 2009, 76, 62-71. Computational Biology A00007 ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 1 Developing Predictive Models for Dengue Haemorrhagic Fever Incidence Rate in Chiang Rai, Thailand S. Wongkoon, M. Jaroensutasinee, and K. Jaroensutasinee Center of Excellence for Ecoinformatics and Computational Science Graduate Program, School of Science, Walailak University, 222 Thaiburi, Thasala, Nakhon Si Thammarat 80161, Thailand E-mail: swongkoon@gmail.com, jmullica@gmail.com, krisanadej@gmail.com Fax: 66 0 7567 2004; Tel. 66 0 7567 2005-6 ABSTRACT Thisstudyattemptedto developanepidemicforecastingmodelusingclimaticdatato predict Dengue Haemorrhagic Fever (DHF) incidence rate in Chiang Rai, Thailand. We obtained monthly DHF incidence and climatic data from 1991 to 2008 from the Bureau ofEpidemiology,DepartmentofDiseaseControl,MinistryofPublicHealthandthe NorthernMeteorologicalCenter.Weusedacross-correlationtoassessthedegreesof correlationbetweenclimaticdataandDHFincidencerateoverarangeoftimelags from0to7months.From12climaticfactors,weselectedboth3and4factorsto generateregressionmodels.Time-seriesregressionandtheseasonalauto-regressive integratedmovingaverage(SARIMA)modelswereusedtoexamineassociationsof DHFincidenceratewithclimaticfactorsafteradjustmentforseasonality.Theresults showedthatwhenwerandomlyselected3outof12climaticfactors,therewere24 significantregressionmodelsoutof220models.Themostsuitablemodelwas comprised of rainfall at lag of 0 month, evaporation at lag of 4 months and fog at lag of 6months.Whenwerandomlyselected4outof12climaticfactors,therewere8 significantregressionmodelsoutof495models.Themostsuitablemodelwas comprisedofrainfallatlagof0month,evaporationatlagof4monthsandmean relativehumidityat lagof 6monthsandnegativelyassociatedwithminimumrelative humidityatlagof6months.Bothmodelsshowedthatrainfallatlagof0monthand evaporation at lag of 4 months were main predictive factors for DHF incidence rate in Chiang Rai. Keywords: Dengue, Climatic, Time series, Forecasting. 1.INTRODUCTION Dengueinfectionanditspotentiallyfatalforms,denguehaemorrhagicfever(DHF)and dengue shock syndrome (DSS), have increased dramatically in recent decades, particularly in rapidlyexpandingurbanandsemi-urbanareasinmiddleandlowincomecountrieswhere water storage and waste disposal services are limited [1]. Dengue fever is regarded as one of the worlds most widespread vector-borne diseases [2]. In Thailand, DHF occurred first only in Bangkok, but soon spread to the other areas [3-4]. Since 1991, the number of reported DHF caseshasbeen increasingalthoughthemortalityratehas decreased[5].In June2007,DHF incidenceinChiangRaiwasthehighestinThailandreported464cases.In2008,DHF incidence was 1,069 cases or 87.19 cases per 100,000 populations, with a case fatality rate of 17.4andamortalityrateof0.49[5].Thisstudyexaminesthepotentialimpactofclimate variabilityonDHFincidenceandexploresthepossibilityofdevelopinganepidemic forecastingsystemforDHFincidenceusingthemultivariateSARIMAtechniqueinChiang Rai, Thailand. 2.THEORY AND RELATED WORKS Dengue is an important mosquito-borne disease, transmitted mainly by Aedes aegypti. This mosquito is well adapted to the urban environment and successfully breeds in containers such asdiscardedcans,bottles,plasticcontainersandtires[6-7].Aedesmosquitoesthrivein warmerenvironmentsbutnotindryenvironments.Thus,theeffectofglobalwarmingon denguedependsonprecipitation,temperature,humidity,wind,durationofdaylight,storm A00007 ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 2 severity, frequency of flooding or droughts, and rising sea levels [8-11]. Highest abundances inbreedingofAedesmosquitoesinBuenosAires,Argentinaoccurredduringmean temperatures above 20 C and accumulated rainfalls above 150 mm [12]. Time-seriesmethodologyhasbeenusedineconometrics.Recently,ithasbeen increasingly used in epidemiologicresearch [13-15]. In environmental health research,there is oftenanobvious timelag between response andexplanatory variables [16]. Somestudies approachthisbyexaminingmodelswithsimultaneousmultiplelagsoftheexplanatory variables [17]. 3.COMPUTATIONAL DETAILS WeobtainedthedataofDHFcasesinChiangRaifortheperiodof1991-2008fromthe Bureau of Epidemiology, Department of Disease Control, Ministry of Public Health. Climatic dataobtainedfromtheNorthernMeteorologicalCenterwerecomprisingofmean/max/min pressure,mean/max/mintemperature,mean/max/minrelativehumidity,meandewpoint, evaporation, cloudiness, visibility, mean wind speed, monthly rainfall, number of rainy days, daily max rainfall and number of days with fog/haze/thunderstorm. TherelationshipbetweenmonthlyclimaticdataandmonthlyDHFincidenceratewas examined by using Spearmans correlation. We used a cross-correlation to assess the degrees of correlation between climatic data and DHF incidence rate over a range of time lags from 0 to 7 months. We fitted seasonal autoregressive integrated moving average (SARIMA) models withthetimeseriesofDHFincidencerate.From12climaticfactors,weselected3and4 factorstogenerateregressionmodels.Sevenparameterswereselectedwhenfittingthe SARIMA model: the order of auto-regressive (p) and seasonal auto-regressive (P), the order ofintegration(d)andseasonalintegration(D),andtheorderofmovingaverage(q)and seasonalmovingaverage(Q).TheprocessiscalledSARIMA(p,d,q)(P,D,Q)s(sisthe length of seasonal period). The original time series of monthly DHF incidence rate in Chiang Rai at time t (Xt) was X1, X2, , Xt-1. A SARIMA process of period (s), with regular and seasonal AR ordersp and P, regularandseasonalMAordersqandQ,andregularandseasonaldifferencesdandDis defined by (1B)d (1Bs)D (B) (Bs) Xt = (B) (Bs)Zt Where: B: Backward shift operator, (1Bs)Xt = Xt Xt-s Zt: Random error at time t (Xs) = 1 1Xs 2X2s PXPs (Xs) = 1 + 1Xs + 2X2s + + QXQs (Bs)Xt = (Bs)Zt ThesmallestvalueofAkaikesinformationcriterion(AIC)wassetasthestandardto identifythebest-fitmodel[18].TheSARIMAmodelconstructedwiththeDHFincidence datafrom 1991-2007 was usedto predict theDHF incidencein Chiang Rai duringJanuary-December2008.AllstatisticalanalyseswereconductedusingMathematicaSoftwarewith Time Series package. 4.RESULTS DHF incidence in Chiang Rai, 1991-2008 The annual DHF incidence in Chiang Rai ranged from 3.72 cases per 100,000 population in 2000 to 265.63 cases per 100,000 population in 1997 (Figure1). There was aremarkable reductionintheDHFincidenceafter1998(Figure1).Therewasmonthlyvariationinthe DHFincidenceinChiangRaiwithAugustaspeaktimes,especiallyduringtheoutbreak (Figure 1). A00007 ANSCSE14 Mae Fah Luang University, Chiang Rai, Thailand March 23-26, 2010 3 Figure 1. The actual DHF incidence (solid line) and predicted DHF incidence (dashedline)from1991-2008bySARIMAmodelinChiangRaiprovince, Thailand. Correlation between Climatic variables and DHF incidence rate Monthlymean/maxpressure,mean/max/mintemperature,minrelativehumidity,dew point, evaporation, cloudiness, visibility, mean/max wind speed, monthly rainfall, the number of rainy days and daily max rain