Generation of multiple pharmacophore hypotheses using multiobjective optimisation techniques Simon J. CottrellValerie J. GilletDavid J. Wilton OriginalPaper 03 March 2005 Pages: 665 - 682
Docking studies on NSAID/COX-2 isozyme complexes using Contact Statistics analysis Giuseppe ErmondiGiulia CaronDario Longo OriginalPaper 03 March 2005 Pages: 683 - 696
Comparison of substructural epitopes in enzyme active sites using self-organizing maps Katrin KupasAlfred UltschGerhard Klebe OriginalPaper 03 March 2005 Pages: 697 - 708
Quantitative structure-activity relationships of mutagenic activity from quantum topological descriptors: triazenes and halogenated hydroxyfuranones (mutagen-X) derivatives P. L. A. PopelierP. J. SmithU. A. Chaudry OriginalPaper 03 March 2005 Pages: 709 - 718
Conformational analysis of methylphenidate: comparison of molecular orbital and molecular mechanics methods Kathleen M. GilbertWilliam J. SkawinskiCarol A. Venanzi OriginalPaper 03 March 2005 Pages: 719 - 738