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Sampling long versus short range interactions defines the ability of force fields to reproduce the dynamics of intrinsically disordered proteins.
Mercadante, Davide, Wagner, Johannes Andreas, Aramburu, Iker Valle, Lemke, Edward A., Gräter, FraukeLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00143
Date:
August, 2017
File:
PDF, 3.89 MB
english, 2017