A Comparative Molecular Similarity Index Analysis (CoMSIA) study identifies an HLA-A2 binding supermotif Irini A. DoytchinovaDarren R. Flower OriginalPaper Pages: 535 - 544
Predicting anticonvulsant activity of benzamides/benzylamines: computational approach using topological descriptors S. SardanaA.K. Madan OriginalPaper Pages: 545 - 550
Genetic algorithm for the design of molecules with desired properties Stefan KamphausenNils HöltgeAndreas Schwienhorst OriginalPaper Pages: 551 - 567
Fast estimation of hydrogen-bonding donor and acceptor propensities: a GMIPp study Albert SalichsM. LópezF. Javier Luque OriginalPaper Pages: 569 - 583
Metal complexes of chiral pentaazacrowns as conformational templates for β-turn recognition Andrea J.H. ReakaChris M.W. HoGarland R. Marshall OriginalPaper Pages: 585 - 600
Molecular dynamics simulation of cyclosophoroheptadecaose (Cys-A) Hyunmyung KimKarpjoo JeongSeunho Jung OriginalPaper Pages: 601 - 610
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
Parametrization of a force field for metals complexed to biomacromolecules: applications to Fe(II), Cu(II) and Pb(II) Laurent DavidPatricia AmaraFrançois Major OriginalPaper Pages: 635 - 651
A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP Yogendra PatelValerie J. GilletAndrew R. Leach OriginalPaper Pages: 653 - 681