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The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.

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Title: The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.
Authors: Rizzi, Andrea1,2, andrea.rizzi@choderalab.org, Jensen, Travis3, Slochower, David R.4, Aldeghi, Matteo5, Gapsys, Vytautas5, Ntekoumes, Dimitris6, Bosisio, Stefano7, Papadourakis, Michail7, Henriksen, Niel M.4,8, de Groot, Bert L.5, Cournia, Zoe6, Dickson, Alex9,10, Michel, Julien7, Gilson, Michael K.4, Shirts, Michael R.3, Mobley, David L.11, dmobley@uci.edu, Chodera, John D.1, john.chodera@choderalab.org
Source: Journal of Computer-Aided Molecular Design; May2020, Vol. 34 Issue 5, p601-633, 33p
Database: Applied Science & Technology Source
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ISSN:0920654X
DOI:10.1007/s10822-020-00290-5