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Journal of Computer-Aided Molecular Design|June 1, 1995
Flexible matching of test ligands to a 3D pharmacophore using a molecular superposition force field: comparison of predicted and experimental conformations of inhibitors of three enzymesC McMartin, R S BohacekJournal of Computer-Aided Molecular Design|June 1, 1995
BUILDER v.2: improving the chemistry of a de novo design strategyD C Roe, I D KuntzJournal of Computer-Aided Molecular Design|June 1, 1995
Quantitative structure-agonist activity relationship of capsaicin analoguesG Klopman, J Y LiJournal of Computer-Aided Molecular Design|March 1, 1997
Structure-affinity relationships for the binding of actinomycin D to DNAJ Gallego, A R Ortiz, B de Pascual-Teresa, et al.Journal of Computer-Aided Molecular Design|October 1, 1995
A new procedure for improving the predictiveness of CoMFA models and its application to a set of dihydrofolate reductase inhibitorsR T Kroemer, P HechtJournal of Computer-Aided Molecular Design|April 1, 1996
Structure-activity analysis of fluorinated 1-N-arylamino-1-arylmethanephosphonic acid esters as inhibitors of the NADH:ubiquinone oxidoreductase (complex I)H Dronia, U Gruss, G Hägele, et al.Journal of Computer-Aided Molecular Design|April 1, 1996
On the electrostatic and steric similarity of lactam compounds and the natural substrate for bacterial cell-wall biosynthesisJ Frau, S L PriceJournal of Computer-Aided Molecular Design|April 1, 1996
Orientational sampling and rigid-body minimization in molecular docking revisited: on-the-fly optimization and degeneracy removalD A Gschwend, I D KuntzJournal of Computer-Aided Molecular Design|October 1, 1993
A Monte Carlo pharmacophore generation procedure: application to the human PAF receptorE E Hodgkin, A Miller, M WhittakerJournal of Computer-Aided Molecular Design|October 1, 1993
Computer-aided drug design: a free energy perturbation study on the binding of methyl-substituted pterins and N5-deazapterins to dihydrofolate reductaseP L Cummins, J E GreadyPageof 264