D3R grand challenge 2015: Evaluation of protein–ligand pose and affinity predictions - Gathiaka, Symon; Liu, Shuai; Chiu, Michael; Yang, Huanwang; Stuckey, Jeanne A.; Kang, You Na; Delproposto, Jim; Kubish, Ginger; Dunbar, James B.; Carlson, Heather A.; Burley, Stephen K.; Walters, W. Patrick; et al. (Journal of computer-aided molecular design, 2016)
Keywords: Affinity; Animal Anatomy; Binding Sites; Chemistry; Chemistry and Materials Science; Communities; Community structure; Computer Applications in Chemistry; Crystallography, X-Ray; Design analysis; Docking; Drug Design; Histology; HSP90 Heat-Shock Proteins - chemistry; Ligands; Mathematical analysis; Molecular Docking Simulation; Morphology; Physical Chemistry; Predictions; Protein Binding; Protein Conformation; Proteins; Quantitative Structure-Activity Relationship; Receptors; Scoring; Docking; Scoring; D3R; Ligand; Free energy; Protein