Replacement of steric 6–12 potential-derived interaction energies by atom-based indicator variables in CoMFA leads to models of higher consistency Romano T. KroemerPeter Hecht Research Papers Pages: 205 - 212
PRO_LIGAND: An approach to de novo molecular design. 4. Application to the design of peptides David FrenkelDavid E. ClarkDavid R. Westhead Research Papers Pages: 213 - 225
Simulation analysis of formycin 5′-monophosphate analog substrates in the ricin A-chain active site Mark A. OlsonJohn P. ScovillDallas C. Hack Research Papers Pages: 226 - 236
Flexible matching of test ligands to a 3D pharmacophore using a molecular superposition force field: Comparison of predicted and experimental conformations of inhibitors of three enzymes Colin McMartinRegine S. Bohacek Research Papers Pages: 237 - 250
MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry Paul R. GerberKlaus Müller Research Papers Pages: 251 - 268
BUILDER v.2: Improving the chemistry of a de novo design strategy Diana C. RoeIrwin D. Kuntz Research Papers Pages: 269 - 282
Quantitative structure-agonist activity relationship of capsaicin analogues Gilles KlopmanJu-Yun Li Research Papers Pages: 283 - 294