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Journal of Computer-Aided Molecular Design|April 24, 2010
Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challengeEnrico O Purisima, Christopher R Corbeil, Traian SuleaJournal of Computer-Aided Molecular Design|May 1, 2010
Analysis of SM8 and Zap TK calculations and their geometric sensitivityBenjamin A Ellingson, A Geoffrey Skillman, Anthony NichollsJournal of Computer-Aided Molecular Design|March 31, 2010
Prediction of tautomer ratios by embedded-cluster integral equation theoryStefan M Kast, Jochen Heil, Stefan Güssregen, et al.Journal of Computer-Aided Molecular Design|April 2, 2010
QM/MM based 3D QSAR models for potent B-Raf inhibitorsJae Yoon Chung, Hwan Won Chung, Seung Joo Cho, et al.Journal of Computer-Aided Molecular Design|May 30, 2009
Imidazole-containing farnesyltransferase inhibitors: 3D quantitative structure-activity relationships and molecular dockingAihua Xie, Srinivas Odde, Sivaprakasam Prasanna, et al.Journal of Computer-Aided Molecular Design|June 5, 2009
Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using GlideSameer Kawatkar, Hongming Wang, Ryszard Czerminski, et al.Journal of Computer-Aided Molecular Design|May 16, 2009
How accurate are continuum solvation models for drug-like molecules?Jacob Kongsted, Pär Söderhjelm, Ulf RydeJournal of Computer-Aided Molecular Design|April 28, 2010
The effects of tautomerism on the nature of molecules in the solid stateRodger F HenryJournal of Computer-Aided Molecular Design|December 1, 1990
Theoretical models for the conformations and the protonation of triacetonamineC C Navajas, L A Montero, B La SernaJournal of Computer-Aided Molecular Design|May 1, 1997
A comparison of heuristic search algorithms for molecular dockingD R Westhead, D E Clark, C W MurrayPageof 264