Evaluation of Selected Classical Force Fields for Alchemical Binding Free Energy Calculations of Protein-Carbohydrate Complexes

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Authors: Sushil K. Mishra, Gaetano Calabró, Hannes H. Loeffler, Julien Michel, Jaroslav Koča

Journal title: Journal of Chemical Theory and Computation

Journal number: 15499618

Journal publisher: American Chemical Society

Published year: 2015

Published pages: 3333-3345

DOI identifier: 10.1021/acs.jctc.5b00159

ISSN: 1549-9618