1. A Comparative Molecular Similarity Index Analysis (CoMSIA) study identifies an HLA-A2 binding supermotif

   • Irini A. Doytchinova
   • Darren R. Flower

   OriginalPaper Pages: 535 - 544

2. Predicting anticonvulsant activity of benzamides/benzylamines: computational approach using topological descriptors

   • S. Sardana
   • A.K. Madan

   OriginalPaper Pages: 545 - 550

3. Genetic algorithm for the design of molecules with desired properties

   • Stefan Kamphausen
   • Nils Höltge
   • Andreas Schwienhorst

   OriginalPaper Pages: 551 - 567

4. Fast estimation of hydrogen-bonding donor and acceptor propensities: a GMIPp study

   • Albert Salichs
   • M. López
   • F. Javier Luque

   OriginalPaper Pages: 569 - 583

5. Metal complexes of chiral pentaazacrowns as conformational templates for β-turn recognition

   • Andrea J.H. Reaka
   • Chris M.W. Ho
   • Garland R. Marshall

   OriginalPaper Pages: 585 - 600

6. Molecular dynamics simulation of cyclosophoroheptadecaose (Cys-A)

   • Hyunmyung Kim
   • Karpjoo Jeong
   • Seunho Jung

   OriginalPaper Pages: 601 - 610

7. QSAR of benzene derivatives: comparison of classical descriptors, quantum theoretic parameters and flip regression, exemplified by phenylalkylamine hallucinogens

   • Brian W. Clare

   OriginalPaper Pages: 611 - 633

8. Parametrization of a force field for metals complexed to biomacromolecules: applications to Fe(II), Cu(II) and Pb(II)

   • Laurent David
   • Patricia Amara
   • François Major

   OriginalPaper Pages: 635 - 651

9. A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP

   • Yogendra Patel
   • Valerie J. Gillet
   • Andrew R. Leach

   OriginalPaper Pages: 653 - 681