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Journal of Computer-Aided Molecular Design|May 10, 2008
A new peptide docking strategy using a mean field technique with mutually orthogonal Latin square samplingP Arun Prasad, N GauthamJournal of Computer-Aided Molecular Design|April 17, 2008
Molecular dynamics simulations of ligand-induced backbone conformational changes in the binding site of the periplasmic lysine-, arginine-, ornithine-binding proteinAmi Y-C Yang, Ricardo L ManceraJournal of Computer-Aided Molecular Design|March 22, 2008
A new paradigm for pattern recognition of drugsVladimir A Potemkin, Maria A GrishinaJournal of Computer-Aided Molecular Design|February 8, 2008
Managing bias in ROC curvesRobert D Clark, Daniel J Webster-ClarkJournal of Computer-Aided Molecular Design|February 15, 2008
Docking and multivariate methods to explore HIV-1 drug-resistance: a comparative analysisAnna Maria Almerico, Marco Tutone, Antonino LauriaJournal of Computer-Aided Molecular Design|October 9, 2016
Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challengeAriën S Rustenburg, Justin Dancer, Baiwei Lin, et al.Journal of Computer-Aided Molecular Design|February 8, 2014
Predicting hydration free energies with a hybrid QM/MM approach: an evaluation of implicit and explicit solvation models in SAMPL4Gerhard König, Frank C Pickard, Ye Mei, et al.Journal of Computer-Aided Molecular Design|October 13, 2009
Computation of 3D queries for ROCS based virtual screensGregory J Tawa, J Christian Baber, Christine HumbletJournal of Computer-Aided Molecular Design|February 19, 2014
Prediction of SAMPL4 host-guest binding affinities using funnel metadynamicsYa-Wen Hsiao, Pär SöderhjelmJournal of Computer-Aided Molecular Design|May 29, 2008
2D and 3D QSAR studies of diarylpyrimidine HIV-1 reverse transcriptase inhibitorsJoseph Rebehmed, Florent Barbault, Cátia Teixeira, et al.Pageof 264