CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys

A major goal in drug design is the improvement of computational methods for docking and scoring. The Community Structure Activity Resource (CSAR) has collected several data sets from industry and added in-house data sets that may be used for this purpose (www.csardock.org). CSAR has currently obtain...

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Veröffentlicht in:	Journal of chemical information and modeling 2013-08, Vol.53 (8), p.1842-1852
Hauptverfasser:	Dunbar, James B, Smith, Richard D, Damm-Ganamet, Kelly L, Ahmed, Aqeel, Esposito, Emilio Xavier, Delproposto, James, Chinnaswamy, Krishnapriya, Kang, You-Na, Kubish, Ginger, Gestwicki, Jason E, Stuckey, Jeanne A, Carlson, Heather A
Format:	Artikel
Sprache:	eng
Schlagworte:	Affinity Biological Biological and medical sciences Chemical compounds Crystal structure Databases, Pharmaceutical Docking Drug Design General pharmacology Internet Ligands Medical sciences Molecular chemistry Molecular Docking Simulation - methods Molecular structure Pharmaceutical technology. Pharmaceutical industry Pharmacology. Drug treatments Physicochemical properties. Structure-activity relationships Protein Binding Protein Conformation Proteins Ranking Scoring Structure-Activity Relationship Thermodynamics Variance
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