Evolutionary trace analysis of ionotropic glutamate receptor sequences and modeling the interactions of agonists with different NMDA receptor subunits Mathias-Costa BlaiseRamanathan SowdhaminiNithyananda Pradhan Original Paper 22 October 2004 Pages: 305 - 316
Modeling the E. coli 4-hydroxybenzoic acid oligoprenyltransferase (ubiA transferase) and characterization of potential active sites Lars BräuerWolfgang BrandtLudger A. Wessjohann Original Paper 27 August 2004 Pages: 317 - 327
Quantitative structure–activity relationship study on some benzodiazepine derivatives as anti-Alzheimer agents Bikash DebnathShovanlal GayenTarun Jha Original Paper 17 September 2004 Pages: 328 - 334
Determination of fuzzy logic membership functions using genetic algorithms: application to structure–odor modeling Mohamed KissiMohammed RamdaniDriss Zakarya Original Paper 31 July 2004 Pages: 335 - 341
ProPose: a docking engine based on a fully configurable protein–ligand interaction model Markus H. J. SeifertFrank SchmittBernd Kramer Original Paper 08 October 2004 Pages: 342 - 357
Structure and dynamics of Candida rugosa lipase: the role of organic solvent Bimo Ario TejoAbu Bakar SallehJuergen Pleiss Original Paper 28 September 2004 Pages: 358 - 366
The HF-SCF energy of HIV-1 MNgp120 V3 hairpin loop conformers Joel K. WeltmanGail SkowronGeorge B. Loriot Original Paper 02 October 2004 Pages: 367 - 372
Molecular dynamics simulations of 14 HIV protease mutants in complexes with indinavir Xianfeng ChenIrene T. WeberRobert W. Harrison Original Paper 28 September 2004 Pages: 373 - 381
Modeling the helicase domain of Brome mosaic virus 1a replicase Damià GarrigaJuana DìezBaldomero Oliva Original Paper 20 October 2004 Pages: 382 - 392
A method for structural analysis of α-helices of membrane proteins Pranab K. MohapatraAdikanda KhamariMukesh K. Raval Original Paper 04 November 2004 Pages: 393 - 398
Predicting anti-HIV activity of 2,3-diaryl-1,3-thiazolidin-4-ones: computational approach using reformed eccentric connectivity index Vipin KumarSatish SardanaAnil Kumar Madan Original Paper 03 November 2004 Pages: 399 - 407
Closing loop base pairs in RNA loop–loop complexes: structural behavior, interaction energy and solvation analysis through molecular dynamics simulations Jérôme GolebiowskiSerge AntonczakDaniel Cabrol-Bass Original Paper 22 October 2004 Pages: 408 - 417
A DFT investigation of conformational geometries and interconversion equilibria of phenylthiosemicarbazone and its complexation with zinc Vithaya RuangpornvisutiBanchob Wanno Original Paper 19 November 2004 Pages: 418 - 426