Molecular ModelingSteven O. Nielsen, UTD Chemistry
How do we obtain a molecular picture of chemical systems?
small protein (peptide) binding to a carbon nanotube
example:
Answer:
AFM? TEM?Molecular
simulation?
small protein (peptide) binding to a carbon nanotube
example:
Atomic Force Microscopy?
small protein (peptide) binding to a carbon nanotube
example:
Transition Electron Microscopy?
small protein (peptide) binding to a carbon nanotube
example:
Molecular simulation?
Molecular simulationThe energy of chemical structures, in combination with statistical mechanics, allows for, in principle, all properties of a system to be calculated. But if the energies are not known accurately…
C60 in a lipid bilayer
Nanoparticles in a complex environment (at interface, surfactants present)
C60 in lipid bilayerfunctionalized NP at oil/water interface
C60 in lipid vesicle functionalized NP at lipid bilayer/water interface