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Journal of Computer-Aided Molecular Design|October 5, 2002
3D-QSAR and molecular modeling of HIV-1 integrase inhibitorsMahindra T Makhija, Vithal M KulkarniJournal of Computer-Aided Molecular Design|March 7, 2000
A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matchingJ Mestres, D C Rohrer, G M MaggioraJournal of Computer-Aided Molecular Design|April 27, 1999
Biophysical approaches to G protein-coupled receptors: structure, function and dynamicsA Chollet, G TurcattiJournal of Computer-Aided Molecular Design|April 27, 1999
Comparative molecular field analysis and energy interaction studies of thrombin-inhibitor complexesR Bursi, P D GrootenhuisJournal of Computer-Aided Molecular Design|April 27, 1999
The structural and electronical factors that contribute affinity for the time-dependent inhibition of PGHS-1 by indomethacin, diclofenac and fenamatesR Pouplana, C Pérez, J Sánchez, et al.Journal of Computer-Aided Molecular Design|April 11, 2000
Property distribution of drug-related chemical databasesT I OpreaJournal of Computer-Aided Molecular Design|April 11, 2000
Global 3D-QSAR methods: MS-WHIM and autocorrelationE Gancia, G Bravi, P Mascagni, et al.Journal of Computer-Aided Molecular Design|November 23, 2001
Improved convergence of binding affinities with free energy perturbation: application to nonpeptide ligands with pp60src SH2 domainD J Price, W L JorgensenJournal of Computer-Aided Molecular Design|November 23, 2001
Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structureD J Livingstone, M G Ford, J J Huuskonen, et al.Journal of Computer-Aided Molecular Design|August 6, 2002
Identifying potential binding modes and explaining partitioning behavior using flexible alignments and multidimensional scalingM Feher, J M SchmidtPageof 264