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D3R Grand Challenge 2015: Evaluation of Protein-Ligand Pose and Affinity Predictions

The Drug Design Data Resource (D3R) ran Grand Challenge 2015 between September 2015 and February 2016. Two targets served as the framework to test community docking and scoring methods: (i) HSP90, donated by AbbVie and the Community Structure Activity Resource (CSAR), and (ii) MAP4K4, donated by Gen...

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Bibliographic Details
Published in:J Comput Aided Mol Des
Main Authors: 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, Amaro, Rommie E., Feher, Victoria A., Gilson, Michael K.
Format: Artigo
Language:Inglês
Published: 2016
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Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC5562487/
https://ncbi.nlm.nih.gov/pubmed/27696240
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9946-8
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