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Journal of Computer-Aided Molecular Design|September 14, 1999
QSAR using 2D descriptors and TRIPOS' SIMCAP A HuntJournal of Computer-Aided Molecular Design|September 29, 2000
Steroid binding by antibodies and artificial receptors: exploration of theoretical methods to determine the origins of binding affinities and specificitiesS Handschuh, B Goldfuss, J Chen, et al.Journal of Computer-Aided Molecular Design|September 29, 2000
Localization and quantification of hydrophobicity: the molecular free energy density (MolFESD) concept and its application to sweetness recognitionR Jäger, F Schmidt, B Schilling, et al.Journal of Computer-Aided Molecular Design|April 27, 1999
A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitorsS S So, M KarplusJournal of Computer-Aided Molecular Design|December 29, 2000
A pharmacophore model for dopamine D4 receptor antagonistsJ Boström, K Gundertofte, T LiljeforsaJournal of Computer-Aided Molecular Design|May 18, 2000
Structural analysis of the KGD sequence loop of barbourin, an alphaIIbbeta3-specific disintegrinH Minoux, C Chipot, D Brown, et al.Journal of Computer-Aided Molecular Design|May 18, 2000
3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligandsJ J Lozano, M Pastor, G Cruciani, et al.Journal of Computer-Aided Molecular Design|April 11, 2000
Ab initio study on tautomerism of 2-thiouracil in the gas phase and in solutionH YekelerJournal of Computer-Aided Molecular Design|April 11, 2000
Chemometric rationalization of the structural and physicochemical basis for selective cyclooxygenase-2 inhibition: toward more specific ligandsE Filipponi, V Cecchetti, O Tabarrini, et al.Journal of Computer-Aided Molecular Design|July 15, 2000
Computer based screening of compound databases: 1. Preselection of benzamidine-based thrombin inhibitorsT Fox, E E HaaksmaPageof 263