"The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of ..."

Andrea Rizzi et al. (2020)

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DOI: 10.1007/S10822-020-00290-5

access: closed

type: Journal Article

metadata version: 2020-05-30

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Andrea Rizzi, Travis Jensen, David R. Slochower, Matteo Aldeghi, Vytautas Gapsys, Dimitris Ntekoumes, Stefano Bosisio, Michail Papadourakis, Niel M. Henriksen, Bert L. de Groot, Zoe Cournia, Alex Dickson, Julien Michel, Michael K. Gilson, Michael R. Shirts, David L. Mobley, John D. Chodera:
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. J. Comput. Aided Mol. Des. 34(5): 601-633 (2020)

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