"Large-Scale Membrane Permeability Prediction of Cyclic Peptides Crossing a ..."

Masatake Sugita et al. (2021)

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DOI: 10.1021/ACS.JCIM.1C00380

access: open

type: Journal Article

metadata version: 2023-05-13

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Masatake Sugita, Satoshi Sugiyama, Takuya Fujie, Yasushi Yoshikawa, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama:
Large-Scale Membrane Permeability Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling Molecular Dynamics Simulations. J. Chem. Inf. Model. 61(7): 3681-3695 (2021)

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