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Journal of Computer-Aided Molecular Design|August 2, 2000
A novel method of aligning molecules by local surface shape similarityD A Cosgrove, D M Bayada, A P JohnsonJournal of Computer-Aided Molecular Design|August 2, 2000
Identification of ligands for RNA targets via structure-based virtual screening: HIV-1 TARA V Filikov, V Mohan, T A Vickers, et al.Journal of Computer-Aided Molecular Design|March 29, 2001
NMR-restrained docking of a peptidic inhibitor to the N-terminal domain of the phosphoenolpyruvate:sugar phosphotransferase enzyme ID Rognan, S Mukhija, G Folkers, et al.Journal of Computer-Aided Molecular Design|March 29, 2001
Does a diol cyclic urea inhibitor of HIV-1 protease bind tighter than its corresponding alcohol form? A study by free energy perturbation and continuum electrostatics calculationsL Wang, Y Duan, P Stouten, et al.Journal of Computer-Aided Molecular Design|December 10, 1999
The sensitivity of the results of molecular docking to induced fit effects: application to thrombin, thermolysin and neuraminidaseC W Murray, C A Baxter, A D FrenkelJournal of Computer-Aided Molecular Design|December 10, 1999
A model for the binding of low molecular weight inhibitors to the active site of thrombinM C Allen, X L Cockcroft, M G Gruetter, et al.Journal of Computer-Aided Molecular Design|December 10, 1999
Hydrogen bonding and dimeric self-association of 2-pyrrolidinone: an ab initio studyH Yekeler, A Guven, R OzkanJournal of Computer-Aided Molecular Design|December 10, 1999
Facet diagrams for quantum similarity dataD Robert, X Gironés, R Carbó-DorcaJournal of Computer-Aided Molecular Design|November 2, 2001
FLASHFLOOD: a 3D field-based similarity search and alignment method for flexible moleculesM C Pitman, W K Huber, H Horn, et al.Journal of Computer-Aided Molecular Design|November 2, 2001
Predicting anti-HIV activity: computational approach using a novel topological descriptorS Gupta, M Singh, A K MadanPageof 263