1. The sensitivity of the results of molecular docking to induced fit effects: Application to thrombin, thermolysin and neuraminidase

   • Christopher W. Murray
   • Carol A. Baxter
   • A. David Frenkel

   OriginalPaper Pages: 547 - 562

2. Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors

   • Supa Hannongbua
   • Pornpan Pungpo
   • Peter Wolschann

   OriginalPaper Pages: 563 - 577

3. A model for the binding of low molecular weight inhibitors to the active site of thrombin

   • Mark C. Allen
   • Xiao Ling Fan Cockcroft
   • John P. Priestle

   OriginalPaper Pages: 579 - 588

4. Hydrogen bonding and dimeric self-association of 2-pyrrolidinone: An ab initio study

   • Hulya Yekeler
   • Al^aattin Guven
   • Refik Ozkan

   OriginalPaper Pages: 589 - 596

5. Facet diagrams for quantum similarity data

   • David Robert
   • Xavier Gironés
   • Ramon Carbó-Dorca

   OriginalPaper Pages: 597 - 610

6. Application of multivariate data analysis methods to Comparative Molecular Field Analysis (CoMFA) data: Proton affinities and pKa prediction for nucleic acids components

   • Raimundo Gargallo
   • Christoph A. Sotriffer
   • Bernd M. Rode

   OriginalPaper Pages: 611 - 623

7. Visualisation and integration of G protein-coupled receptor related information help the modelling: Description and applications of the Viseur program

   • F. Campagne
   • R. Jestin
   • B. Maigret

   OriginalPaper Pages: 625 - 643