Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes Matthew D. EldridgeChristopher W. MurrayRoger P. Mee OriginalPaper Pages: 425 - 445
Database diversity assessment: New ideas, concepts, and tools Ramaswamy NilakantanNorman BaumanKevin S. Haraki OriginalPaper Pages: 447 - 452
Diverse binding site structures revealed in homology models of polyreactive immunoglobulins Paul A. RamslandLuke W. GuddatRobert L. Raison OriginalPaper Pages: 453 - 461
Fine specificity of antigen binding to two class I major histocompatibility proteins (B*2705 and B*2703) differing in a single amino acid residue Didier RognanStefan KrebsGerd Folkers OriginalPaper Pages: 463 - 478
The orientation of N-H...O=C and N-H...N hydrogen bonds in biological systems: How good is a point charge as a model for a hydrogen bonding atom? Robert P. ApayaMaria BondíSarah L. Price OriginalPaper Pages: 479 - 490
Comparative molecular modelling study of the calcium channel blockers nifedipine and black mamba toxin FS2 Klaus-Jürgen Schleifer OriginalPaper Pages: 491 - 501
Heuristic lipophilicity potential for computer-aided rational drug design Qishi DuGustavo A. ArtecaPaul G. Mezey OriginalPaper Pages: 503 - 515
A computationally efficient alternative to the Buckingham potential for molecular mechanics calculations David N.J. White BriefCommunication Pages: 517 - 521