Inhibitors of prolyl endopeptidase: Characterization of the pharmacophoric pattern using conformational analysis and 3D-QSAR Thierry LangerCamille G. Wermuth Research Papers Pages: 253 - 262
Use of the hydrogen bond potential function in a comparative molecular field analysis (CoMFA) on a set of benzodiazepines Ki Hwan KimGiovanni GrecoAntonio Vittoria Research Papers Pages: 263 - 280
A preliminary 3D model for cytochrome P450 2D6 constructed by homology model building Luc M. H. KoymansNico P. E. VermeulenGabriëlle M. Donné-Op den Kelder Research Papers Pages: 281 - 289
Peptide mimetics as enzyme inhibitors: Use of free energy perturbation calculations to evaluate isosteric replacement for amide bonds in a potent HIV protease inhibitor Piotr CieplakPeter A. Kollman Research Papers Pages: 291 - 304
An approximate but efficient method to calculate free energy trends by computer simulation: Application to dihydrofolate reductase-inhibitor complexes Paul R. GerberAlan E. MarkWilfred F. van Gunsteren Research Papers Pages: 305 - 323
The use of an algorithmic method for small molecule superimpositions in the design of antiviral agents Guy DianaEdward P. JaegerAdi M. Treasurywala Research Papers Pages: 325 - 335
MEPSIM: A computational package for analysis and comparison of molecular electrostatic potentials Ferran SanzFrancesc ManautElena López-de-Briñas Research Papers Pages: 337 - 347
Antifungal triazole alcohols: A comparative analysis of structure-activity, structure-teratogenicity and structure-therapeutic index relationships using the Multiple Computer-Automated Structure Evaluation (Multi-CASE) methodology Gilles KlopmanDmitri Ptchelintsev Research Papers Pages: 349 - 362