A comparative molecular field analysis of cytochrome P450 2A5 and 2A6 inhibitors
QSAR study and VolSurf characterization of anti-HIV quinolone library
A multivariate insight into the in vitro antitumour screen database of the National Cancer Institute
Force-field parametrization and molecular dynamics simulations of p-menthan-3,9-diols
An improved nicotinic pharmacophore and a stereoselective CoMFA-model for nicotinic agonists acting at the central nicotinic acetylcholine receptors labelled by [3H]-N-methylcarbamylcholine
Conformational study of insect adipokinetic hormones using NMR constrained molecular dynamics
Lipophilicity in PK design