Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package - researchr publication authors

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Daniel J. Mermelstein, Charles Lin, Gard Nelson, Rachael Kretsch, J. Andrew McCammon, Ross C. Walker. Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package. Journal of Computational Chemistry, 39(19):1354-1358, 2018. [doi]

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