Multiscale Approach for Computing Gated Ligand Binding from Molecular Dynamics and Brownian Dynamics Simulations

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Authors: S. Kashif Sadiq, Abraham Muñiz Chicharro, Patrick Friedrich, Rebecca C. Wade

Journal title: Journal of Chemical Theory and Computation, Vol. 17, No. 12

Journal publisher: American Chemical Society

Published year: 2021

DOI identifier: 10.1021/acs.jctc.1c00673

ISSN: 1549-9618