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"Fast and flexible gpu accelerated binding free energy calculations within ..."
Daniel J. Mermelstein et al. (2018)
- Daniel J. Mermelstein
, Charles Lin, Gard Nelson, Rachael Kretsch, James Andrew McCammon
, Ross C. Walker:
Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package. J. Comput. Chem. 39(19): 1354-1358 (2018)
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