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Journal of Chemical Information and Modeling|June 23, 2016
Structural Insights into 5-HT1A/D4 Selectivity of WAY-100635 Analogues: Molecular Modeling, Synthesis, and in Vitro BindingSébastien Dilly, Jean-François LiégeoisJournal of Chemical Information and Modeling|June 11, 2016
Using Wavelet Analysis To Assist in Identification of Significant Events in Molecular Dynamics SimulationsZahra Heidari, Daniel R Roe, Rodrigo Galindo-Murillo, et al.Journal of Chemical Information and Modeling|May 7, 2016
CSAR 2014: A Benchmark Exercise Using Unpublished Data from PharmaHeather A Carlson, Richard D Smith, Kelly L Damm-Ganamet, et al.Journal of Chemical Information and Modeling|May 24, 2016
AlaScan: A Graphical User Interface for Alanine Scanning Free-Energy CalculationsVijayaraj Ramadoss, François Dehez, Christophe ChipotJournal of Chemical Information and Modeling|August 12, 2015
Binding Kinetics versus Affinities in BRD4 InhibitionMing Kuang, Jingwei Zhou, Laiyou Wang, et al.Journal of Chemical Information and Modeling|August 19, 2015
Evaluation of the Wilma-SIE Virtual Screening Method in Community Structure-Activity Resource 2013 and 2014 Blind ChallengesHervé Hogues, Traian Sulea, Enrico O PurisimaJournal of Chemical Information and Modeling|April 29, 2016
A Novel Concept for the Search and Retrieval of the Derwent Markush Resource DatabaseAndreas Barth, Thomas Stengel, Edwin Litterst, et al.Journal of Chemical Information and Modeling|April 22, 2016
Knowledge-Based Methods To Train and Optimize Virtual Screening EnsemblesRobert V Swift, Siti A Jusoh, Tavina L Offutt, et al.Journal of Chemical Information and Modeling|April 19, 2016
PBSA_E: A PBSA-Based Free Energy Estimator for Protein-Ligand Binding AffinityXiao Liu, Jinfeng Liu, Tong Zhu, et al.Journal of Chemical Information and Modeling|December 2, 2015
Quantitative Structure-Property Relationship Modeling of Electronic Properties of Graphene Using Atomic Radial Distribution Function ScoresMichael Fernandez, Hongqing Shi, Amanda S BarnardPageof 909