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August 1, 2013
How to improve docking calculations
The Community Structure-Activity Resource (CSAR) is a center founded in 2008 by the National Institute of Health (NIH) for development, validation and benchmarking of docking methodologies. Its first benchmarking exercise took place in 2010 and was published in a special issue of the Journal of Chemical Information and Modeling (J. Chem. Inf. Model 2011, 51, (...