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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Veröffentlicht in:J Comput Aided Mol Des
Hauptverfasser: 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
Sprache:Inglês
Veröffentlicht: 2016
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Article
Online Zugang: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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