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. Journal of Chemical Information and Computer Sciences, 62(8):1891-1904, 2022. [doi]
@article{ZhangTXBYSCL22,
title = {Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories},
author = {She Zhang and Jeffrey P. Thompson and Junchao Xia and Anthony T. Bogetti and Forrest York and A. Geoffrey Skillman and Lillian T. Chong and David N. LeBard},
year = {2022},
doi = {10.1021/acs.jcim.1c01540},
url = {https://doi.org/10.1021/acs.jcim.1c01540},
researchr = {https://researchr.org/publication/ZhangTXBYSCL22},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {62},
number = {8},
pages = {1891-1904},
}