Docking and Scoring with Target-Specific Pose Classifier Succeeds in Native-Like Pose Identification But Not Binding Affinity Prediction in the CSAR 2014 Benchmark Exercise

Regina Politi, Marino Convertino, Konstantin Popov, Nikolay V. Dokholyan, Alexander Tropsha. Docking and Scoring with Target-Specific Pose Classifier Succeeds in Native-Like Pose Identification But Not Binding Affinity Prediction in the CSAR 2014 Benchmark Exercise. Journal of Chemical Information and Computer Sciences, 56(6):1032-1041, 2016. [doi]

Abstract

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