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Journal of Computer-Aided Molecular Design|March 24, 1999
Methodological developments and strategies for a fast flexible superposition of drug-size moleculesG Klebe, T Mietzner, F WeberJournal of Computer-Aided Molecular Design|March 24, 1999
Combinatorial docking and combinatorial chemistry: design of potent non-peptide thrombin inhibitorsH J Böhm, D W Banner, L WeberJournal of Computer-Aided Molecular Design|March 24, 1999
A computational model of the nicotinic acetylcholine binding siteE Gálvez-Ruano, I Iriepa-Canalda, A Morreale, et al.Journal of Computer-Aided Molecular Design|March 26, 1999
Predicting relative binding affinities of non-peptide HIV protease inhibitors with free energy perturbation calculationsM A McCarrick, P A KollmanJournal of Computer-Aided Molecular Design|March 26, 1999
Major versus minor groove DNA binding of a bisarginylporphyrin hybrid molecule: a molecular mechanics investigationN Gresh, M Perrée-FauvetJournal of Computer-Aided Molecular Design|March 26, 1999
Ab initio calculations on peptide-derived oxazoles and thiazoles: improved molecular mechanics parameters for the AMBER force fieldC D Boden, G PattendenJournal of Computer-Aided Molecular Design|March 26, 1999
Comparison of two implementations of the incremental construction algorithm in flexible docking of thrombin inhibitorsR M Knegtel, D M Bayada, R A Engh, et al.Journal of Computer-Aided Molecular Design|December 14, 2007
Bias, reporting, and sharing: computational evaluations of docking methodsAjay N JainJournal of Computer-Aided Molecular Design|January 31, 2008
GridMol: a grid application for molecular modeling and visualizationYanhua Sun, Bin Shen, Zhonghua Lu, et al.Journal of Computer-Aided Molecular Design|January 16, 2008
An improved relaxed complex scheme for receptor flexibility in computer-aided drug designRommie E Amaro, Riccardo Baron, J Andrew McCammonPageof 263