ITW13 - Computer Aided Drug Design - IEEEAlexSB

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  • 7/27/2019 ITW13 - Computer Aided Drug Design - IEEEAlexSB

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    Gkmputer-@doeo OrujOesdjcZ`fdo Jkm``

    Z`f`` @ameo

    Mka`meo @ioef @zdz

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    Kutfdce

    D. _r`odtdkc`f vs. Gkmput`tdkc`f Oruj Oesdjc

    DD. G@OO `co Idkdchkrm`tdgs Dcoustry

    DDD. Wgdectdhdg I`gbjrkuco

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    _r`odtdkc`f vs. Gkmput`tdkc`f Oruj Oesdjc

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    _r`odtdkc`f Oruj Odsgkvery

    _r`odtdkc`f oruj oesdjc tegacdques - suga `s r`cokmsgreecdcj `co ga`cge odsgkvery - `re>

    Xery tdme gkcsumdcj (0 survey + Ae`o kh Kcgkfkjy Oep`rtmect dc @fex Ucdv.Akspdt`f

    Xery expecsdve ($7

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    _ae gygfe kh r`tdkc`f oruj oesdjc>

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    G@OO `co Idkdchkrm`tdgs Dcoustry

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    Idkdchkrm`tdgs M`rbet Wdze Jfki`f Idkdchkrm`tdgs Y&O wdff re`ga $5.< idffdkc iy 9 Idkdchkrm`tdgs ` jfki`f str`tejdg iusdcess repkrt

    Ucdteo Wt`tes> ?5% m`rbet sa`re dc 9 Iusdcess Dcsdjats, 9 $7 Mdffdkc (Jeckme Dchkrm`tdgs)

    skurge> EJ-Idkdchkrm`tdgs

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    \a`rm`geutdg`f Dcoustry M`rbet Wdze

    Ejypt> pa`rm`geutdg`f m`rbet sdze w`s 05.7 idffdkc EJ\ `t tae eco kh 9 wdff gkcsume ikut $8 idffdkc kh pa`rm`geutdg`fs dc 9 GD G`pdt`f repkrt `ikut tae pa`rm`geutdg`f dcoustry dc Ejypt

    Mdoofe E`st> tae pa`rm`geutdg`f segtkr w`s `ikut $08 idffdkc dc 9 \a`rgk (Ejypt), @mkuc (Ejypt), _`iub (BW@), \a`rm`geutdg`f Wkfutdkcs Dcoustry Fto. (BW@),Nufpa`r (Jufh \a`rm`geutdg`f Dcoustrdes) (U@E)

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    \a`rm`geutdg`f W`fes dc Ejypt Ckw`o`ys, Ejypt pa`rm`geutdg`f segtkr ds kce kh tae f`rjest dcoustrdes

    skurge> GD G`pdt`f repkrt

    _aere `re 09< pa`rm`geutdg`f h`gtkrdes `co ?5,

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    Wurvey kh tae G@OO M`rbet

    G@OO D_ dc Ejypt `co tae rejdkc> Ckce!

    \a`rm`geutdg`f gkmp`cdes dc Ejypt> Mdmdg dcterc`tdkc`f oruj gkmpkucos - ck odsgkvery kh

    ckvef orujsWkurge> survey + m`c`jers dc Ejypt-G`re \a`rm` `co Ejypt

    Jrkup.

    \a`rm`geutdg`f gkrpkr`tdkcs usdcj G@OO> \hdzer, Jf`xkWmdtaBfdce, Ckv`rtds (usdcj HKGUW),

    W`ckhd, @str`^eceg`, @iiktt9 Kgtkier 9

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    Wgdectdhdg I`gbjrkuco

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    Okgbdcj kh ` Fdj`co wdta ` _`rjet \rktedc

    fdj`co (sm`ff oruj mkfegufe)f`rje prktedc mkfegufe

    st`ife gkmpfex mkfegufe

    Hdttdcj \uzzfe \deges

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    Okgbdcj \reodgtdcj tae iest krdect`tdkc `co gkchkrm`tdkc kh `

    sm`ff mkfegufe (oruj) waec ikuco tk ` t`rjet f`rjer regeptkr mkfegufe dc kroer tk hkrm ` st`ife gkmpfex

    @ggkrodcjfy preodgtdcj tae ecerjy, idcodcj `hhdcdty, `cost`idfdty kh tae gkmpfex mkfegufe

    Wdmuf`te tae mkfeguf`r regkjcdtdkc prkgess

    @gtdv`tdkc kh tae t`rjet prktedc hkr oesdreo hucgtdkc`fdty

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    Dcputs tk ` Okgbdcj @fjkrdtam _ae tertd`ry strugture kh tae t`rjet prktedc oetermdceo iy

    idkpaysdg`f kr preodgtdkc tegacdques

    O`t`i`se kh pktectd`f fdj`cos (sm`ff oruj mkfegufes)

    \rktedc tertd`ry strugture

    Fdj`co strugture

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    Kutputs kh ` Okgbdcj @fjkrdtam @ oesgrdptdkc kh ` ckvef fdj`co (tae oruj mkfegufe)

    Oesgrdptdkc kh (ce`r) kptdm`f st`ife gkmpfex (kptdm`fidcodcj mkoe)>

    Yef`tdve krdect`tdkc kh tae fdj`co tk tae regeptkr prktedc

    Gkchkrm`tdkc kh tae fdj`co `co regeptkr prktedc waecikuco tkjetaer

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    Kutputs kh ` Okgbdcj @fjkrdtam _ae gaemdg`f `co paysdg`f ga`r`gterdstdgs kh tae gkmpfex

    mkfegufe

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    Jekmetrdg Oesgrdptdkc

    Gkkrodc`tes kh `tkms dc 7-odmecsdkc`f sp`ge

    Odst`cges ietweec odhherect `tkm types

    Gkuct kh `tkms kh type n dc ` i`ff kh r`odus gectereo `t`tkm kh type b

    Kit`dceo hrkm \OIidco (attp>//www.poiidco.krj.gc/)

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    X`c oer Z``fs

    Wum kh `ttr`gtdve `co repufsdve hkrges ietweecmkfegufes

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    X`c oer Z``fs

    @ggkrodcj tk @MIEY mkfeguf`r mega`cdgs>

    =

    09 8

    > odst`cge ietweec gkrrespkcodcj `tkms

    , `re p`r`meters tk ie oetermdceo empdrdg`ffy

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    9. Gkchkrm`tdkc`f We`rga Wp`ge Wt`te = Krdect`tdkc + Gkchkrm`tdkc

    (st`tdg he`tures) (oyc`mdg he`tures)

    Gkmidc`tkrd`f dctr`gt`ife prkifem (m`tgadcj twkmkfegufes tkjetaer)

    Evec a`roer waec gkcsdoerdcj prktedc hfexdidfdty

    We`rgadcj hkr tae mkst st`ife st`te> mdcdmum ecerjygkchdjur`tdkc

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    7. Wgkrdcj Hucgtdkc

    Ev`fu`tdcj pktectd`f skfutdkcs

    @ me`sure kh tae hdt kh ` fdj`co dctk tae `gtdve sdte kh regeptkr prktedc

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    Wgkrdcj Hucgtdkc

    0. Wgkrdcj pkwer

    9. Y`cbdcj pkwer

    7. Okgbdcj pkwer

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    Wgkrdcj \kwer \reodgtdcj \rktedc-Fdj`co idcodcj `hhdcdty

    @c empdrdg`f v`fue (me`sureo dc f`i,)

    Wtrecjta wdta wadga ` oruj idcos tk ` regeptkr prktedc

    Dt ds ucdque hkr e`ga oruj dc e`ga regeptkr system `co

    g`c ie useo tk doectdhy odstdcgt regeptkrs

    WH oevefkpeo i`seo kc r`cokm hkrests `co WXMs

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    Y`cbdcj \kwer

    _ae `idfdty tk gkrregtfy r`cb ` jdvec set kh fdj`cos wdtabckwc idcodcj mkoes waec ikuco tk tae s`me prktedc`ggkrodcj tk taedr true idcodcj `hhdcdtdes.

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    Okgbdcj \kwer

    _ae `idfdty tk doectdhy tae gkrregt idcodcj mkoe kh `fdj`co hrkm ` set kh gkmput`tdkc`ffy jecer`teo pkses

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    Okgbdcj @fjkrdtam

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    _A@CB TKU

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