Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease.

Singh, Kh Dhanachandra

Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease. [electronic resource] - Journal of molecular modeling Jan 2012 - 39-51 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

0948-5023

10.1007/s00894-011-1018-3 doi


Alphavirus Infections--drug therapy
Amino Acid Sequence
Binding Sites
Chikungunya Fever
Chikungunya virus--chemistry
Cysteine Endopeptidases--chemistry
Encephalitis Virus, Venezuelan Equine--chemistry
Hydrogen Bonding
Hydrophobic and Hydrophilic Interactions
Models, Molecular
Molecular Dynamics Simulation
Molecular Sequence Data
Protein Binding
Quantitative Structure-Activity Relationship
Sequence Alignment