"Mechanistic Insights into Passive Membrane Permeability of Drug-like ..."

She Zhang et al. (2022)

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DOI: 10.1021/ACS.JCIM.1C01540

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type: Journal Article

metadata version: 2022-06-13

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She Zhang, Jeffrey P. Thompson, Junchao Xia, Anthony T. Bogetti, Forrest York, A. Geoffrey Skillman, Lillian T. Chong, David N. LeBard:
Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories. J. Chem. Inf. Model. 62(8): 1891-1904 (2022)

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