Homology modeling, force field design, and free energy simulation studies to optimize the activities of histone deacetylase inhibitors Hwangseo ParkSangyoub Lee OriginalPaper Pages: 375 - 388
QSAR and classification models of a novel series of COX-2 selective inhibitors: 1, 5-diarylimidazoles based on support vector machines H.X. LiuR.S. ZhangB.T. Fan OriginalPaper Pages: 389 - 399
BODIL: a molecular modeling environment for structure-function analysis and drug design Jukka V. LehtonenDan-Johan StillMark S. Johnson OriginalPaper Pages: 401 - 419
Tuning of hydrogen bond strength using substituents on phenol and aniline: A possible ligand design strategy Jóhannes ReynissonEdward Mcdonald OriginalPaper Pages: 421 - 431