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Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software
Loeffler, Hannes H, Bosisio, Stefano, Duarte Ramos Matos, Guilherme, Suh, Donghyuk, Roux, Benoît, Mobley, David L., Michel, JulienLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00544
Date:
October, 2018
File:
PDF, 1.24 MB
english, 2018