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Journal of Chemical Information and Modeling|January 29, 2016
Solution-Binding and Molecular Docking Approaches Combine to Provide an Expanded View of Multidrug Recognition in the MDR Gene Regulator BmrRDrew Gunio, John Froehlig, Katerina Pappas, et al.
Journal of Chemical Information and Modeling|January 29, 2016
Mechanistic Study of Human Glucose Transport Mediated by GLUT1Xuegang Fu, Gang Zhang, Ran Liu, et al.
Journal of Chemical Information and Modeling|January 12, 2016
Ensemble-Based Virtual Screening Led to the Discovery of New Classes of Potent Tyrosinase InhibitorsJoonhyeok Choi, Kwang-Eun Choi, Sung Jean Park, et al.
Journal of Chemical Information and Modeling|January 14, 2016
SIENA: Efficient Compilation of Selective Protein Binding Site EnsemblesStefan Bietz, Matthias Rarey
Journal of Chemical Information and Modeling|January 14, 2016
Structure-Based Consensus Scoring Scheme for Selecting Class A Aminergic GPCR FragmentsÁdám A Kelemen, Róbert Kiss, György G Ferenczy, et al.
Journal of Chemical Information and Modeling|January 26, 2016
Accurate Prediction of Contact Numbers for Multi-Spanning Helical Membrane ProteinsBian Li, Jeffrey Mendenhall, Elizabeth Dong Nguyen, et al.
Journal of Chemical Information and Modeling|January 23, 2016
AutoT&T v.2: An Efficient and Versatile Tool for Lead Structure Generation and OptimizationYan Li, Zhixiong Zhao, Zhihai Liu, et al.
Journal of Chemical Information and Modeling|May 18, 2016
Difference and Influence of Inactive and Active States of Cannabinoid Receptor Subtype CB2: From Conformation to Drug DiscoveryJianping Hu, Zhiwei Feng, Shifan Ma, et al.
Journal of Chemical Information and Modeling|March 22, 2016
Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and MechanismsGloria Mazzone, Annia Galano, Juan R Alvarez-Idaboy, et al.
Journal of Chemical Information and Modeling|March 22, 2016
VFFDT: A New Software for Preparing AMBER Force Field Parameters for Metal-Containing Molecular SystemsSuqing Zheng, Qing Tang, Jian He, et al.
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