Comparative Molecular Similarity Index Analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries Gerhard KlebeUte Abraham OriginalPaper Pages: 1 - 10
Functional concerted motions in the bovine serum retinol-binding protein P.-L. ChauD.M.F. van AaltenJ.B.C. Findlay OriginalPaper Pages: 11 - 20
Essential dynamics/factor analysis for the interpretation of molecular dynamics trajectories R. KaźmierkiewiczC. CzaplewskiJ. Ciarkowski OriginalPaper Pages: 21 - 33
Methodological developments and strategies for a fast flexible superposition of drug-size molecules Gerhard KlebeThomas MietznerFrank Weber OriginalPaper Pages: 35 - 49
Combinatorial docking and combinatorial chemistry: Design of potent non-peptide thrombin inhibitors Hans-Joachim BöhmDavid W. BannerLutz Weber OriginalPaper Pages: 51 - 56
A computational model of the nicotinic acetylcholine binding site Enrique Gálvez-ruanoIsabel Iriepa-CanaldaKenny B. Lipkowitz OriginalPaper Pages: 57 - 68
Modelling of adrenoceptor ligand targets based on novel medium- or macro-sized fused nitrogen heterocyclic systems Renate GriffithJohn B. Bremner OriginalPaper Pages: 69 - 78
A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors Jordi MestresDouglas C. RohrerGerald M. Maggiora OriginalPaper Pages: 79 - 93