Model based on GRID-derived descriptors for estimating CYP3A4 enzyme stability of potential drug candidates Patrizia CrivoriIsmael ZamoraItalo Poggesi OriginalPaper Pages: 155 - 166
VEGA – An open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming Alessandro PedrettiLuigi VillaGiulio Vistoli OriginalPaper Pages: 167 - 173
Ligand intramolecular motions in ligand-protein interaction: ALPHA, a novel dynamic descriptor and a QSAR study with extended steroid benchmark dataset Kari TuppurainenMarja ViisasReino Laatikainen OriginalPaper Pages: 175 - 187
Validation of an empirical RNA-ligand scoring function for fast flexible docking using RiboDock® S. David MorleyMohammad Afshar OriginalPaper Pages: 189 - 208
A promising enantioselective Diels–Alder dienophile by computer-assisted rational design: 2,5-diphenyl-1-vinyl-borolane Silvina C. PellegrinetMaría A. SilvaJonathan M. Goodman OriginalPaper Pages: 209 - 214
A correlation study of quinoline derivatives and their pharmaceutical behavior by ab initio calculated NQR parameters Marjan A. RafieeNasser L. HadipourHossein Naderi-manesh OriginalPaper Pages: 215 - 220