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Multidimensional Replica Exchange Simulations for Efficient Constant pH and Redox Potential Molecular Dynamics
Cruzeiro, Vinícius Wilian D., Roitberg, Adrian E.Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00935
Date:
January, 2019
File:
PDF, 1.45 MB
english, 2019