Journal of Computer-Aided Molecular Design

Comparative Molecular Similarity Index Analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries
pp. 1-10(10)
Authors: Klebe G.; Abraham U.

Functional concerted motions in the bovine serum retinol-binding protein
pp. 11-20(10)
Authors: Chau P.-L.; van Aalten D.M.F.; Bywater R.P.; Findlay J.B.C.

Essential dynamics/factor analysis for the interpretation of molecular dynamics trajectories
pp. 21-33(13)
Authors: Kamierkiewicz R.; Czaplewski C.; Lammek B.; Ciarkowski J.

Methodological developments and strategies for a fast flexible superposition of drug-size molecules
pp. 35-49(15)
Authors: Klebe G.; Mietzner T.; Weber F.

Combinatorial docking and combinatorial chemistry: Design of potent non-peptide thrombin inhibitors
pp. 51-56(6)
Authors: Böhm H-J.; Banner D.W.; Weber L.

A computational model of the nicotinic acetylcholine binding site
pp. 57-68(12)
Authors: Gálvez-ruano E.; Iriepa-Canalda I.; Morreale A.; Lipkowitz K.B.

Modelling of adrenoceptor ligand targets based on novel medium- or macro-sized fused nitrogen heterocyclic systems
pp. 69-78(10)
Authors: Griffith R.; Bremner J.B.

A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors
pp. 79-93(15)
Authors: Mestres J.; Rohrer D.C.; Maggiora G.M.