Molecular modeling study of tubulosine and other related ipecac alkaloids Mary TroconisWenwen MaJerry McLaughlin OriginalPaper Pages: 411 - 418
Homology modeling of the receptor binding domain of human thrombopoietin Jin-Soo SongHeungrok ParkSeong-Eon Ryu OriginalPaper Pages: 419 - 424
Aspects of the mechanism of catalysis of glucose oxidase: A docking, molecular mechanics and quantum chemical study Michael MeyerGerd WohlfahrtDietmar Schomburg OriginalPaper Pages: 425 - 440
The measurement of molecular diversity by receptor site interaction simulation Camden A. ParksGordon M. CrippenJohn G. Topliss OriginalPaper Pages: 441 - 449
Heuristic lipophilicity potential for computer-aided rational drug design: Optimizations of screening functions and parameters Qishi DuPaul G. Mezey OriginalPaper Pages: 451 - 470
Feature trees: A new molecular similarity measure based on tree matching Matthias RareyJ. Scott Dixon OriginalPaper Pages: 471 - 490
RigFit: A new approach to superimposing ligand molecules Christian LemmenClaus HillerThomas Lengauer OriginalPaper Pages: 491 - 502
Empirical scoring functions. II. The testing of an empirical scoring function for the prediction of ligand-receptor binding affinities and the use of Bayesian regression to improve the quality of the model Christopher W. MurrayTimothy R. AutonMatthew D. Eldridge OriginalPaper Pages: 503 - 519