Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme

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Authors: Thomas Tarenzi, Vania Calandrini, Raffaello Potestio, Alejandro Giorgetti, Paolo Carloni

Journal title: Journal of Chemical Theory and Computation

Journal number: 13/11

Journal publisher: American Chemical Society

Published year: 2017

Published pages: 5647-5657

DOI identifier: 10.1021/acs.jctc.7b00508

ISSN: 1549-9618