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Choosing the Optimal Rigid Receptor for Docking and Scoring in the CSAR 2013/2014 Experiment

Matthew P. Baumgartner, Carlos J. Camacho
2015 Journal of Chemical Information and Modeling  
The 2013/2014 Community Structure-Activity Resource (CSAR) challenge was designed to prospectively validate advancement in the field of docking and scoring receptor-small molecule interactions.  ...  Depending on the target, the optimal receptor for cross-docking and scoring was identified by a self-consistent docking approach that used the Vina scoring function, by aligning compounds to the closest  ...  Acknowledgments The authors wish to thank Dr. David Koes for his valuable insight and comments.  ... 
doi:10.1021/acs.jcim.5b00338 pmid:26222931 pmcid:PMC4744803 fatcat:d6sfj5nyhbcnbedibw3xunur5y