The sensitivity of the results of molecular docking to induced fit effects: Application to thrombin, thermolysin and neuraminidase Christopher W. MurrayCarol A. BaxterA. David Frenkel OriginalPaper Pages: 547 - 562
Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors Supa HannongbuaPornpan PungpoPeter Wolschann OriginalPaper Pages: 563 - 577
A model for the binding of low molecular weight inhibitors to the active site of thrombin Mark C. AllenXiao Ling Fan CockcroftJohn P. Priestle OriginalPaper Pages: 579 - 588
Hydrogen bonding and dimeric self-association of 2-pyrrolidinone: An ab initio study Hulya YekelerAl^aattin GuvenRefik Ozkan OriginalPaper Pages: 589 - 596
Facet diagrams for quantum similarity data David RobertXavier GironésRamon Carbó-Dorca OriginalPaper Pages: 597 - 610
Application of multivariate data analysis methods to Comparative Molecular Field Analysis (CoMFA) data: Proton affinities and pKa prediction for nucleic acids components Raimundo GargalloChristoph A. SotrifferBernd M. Rode OriginalPaper Pages: 611 - 623
Visualisation and integration of G protein-coupled receptor related information help the modelling: Description and applications of the Viseur program F. CampagneR. JestinB. Maigret OriginalPaper Pages: 625 - 643