Fast Estimation of the Blood–Brain Barrier Permeability by Pulling a Ligand through a Lipid Membrane

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Authors: Nguyen Quoc Thai, Panagiotis E. Theodorakis, Mai Suan Li

Journal title: Journal of Chemical Information and Modeling

Journal number: 60/6

Journal publisher: American Chemical Society

Published year: 2020

Published pages: 3057-3067

DOI identifier: 10.1021/acs.jcim.9b00834

ISSN: 1549-9596