1. Comparative Molecular Similarity Index Analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries

   • Gerhard Klebe
   • Ute Abraham

   OriginalPaper Pages: 1 - 10

2. Functional concerted motions in the bovine serum retinol-binding protein

   • P.-L. Chau
   • D.M.F. van Aalten
   • J.B.C. Findlay

   OriginalPaper Pages: 11 - 20

3. Essential dynamics/factor analysis for the interpretation of molecular dynamics trajectories

   • R. Kaźmierkiewicz
   • C. Czaplewski
   • J. Ciarkowski

   OriginalPaper Pages: 21 - 33

4. Methodological developments and strategies for a fast flexible superposition of drug-size molecules

   • Gerhard Klebe
   • Thomas Mietzner
   • Frank Weber

   OriginalPaper Pages: 35 - 49

5. Combinatorial docking and combinatorial chemistry: Design of potent non-peptide thrombin inhibitors

   • Hans-Joachim Böhm
   • David W. Banner
   • Lutz Weber

   OriginalPaper Pages: 51 - 56

6. A computational model of the nicotinic acetylcholine binding site

   • Enrique Gálvez-ruano
   • Isabel Iriepa-Canalda
   • Kenny B. Lipkowitz

   OriginalPaper Pages: 57 - 68

7. Modelling of adrenoceptor ligand targets based on novel medium- or macro-sized fused nitrogen heterocyclic systems

   • Renate Griffith
   • John B. Bremner

   OriginalPaper Pages: 69 - 78

8. A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors

   • Jordi Mestres
   • Douglas C. Rohrer
   • Gerald M. Maggiora

   OriginalPaper Pages: 79 - 93