Open AccessLipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations
Author(s) -
Masatake Sugita,
Takuya Fujie,
Keisuke Yanagisawa,
Masahito Ohue,
Yutaka Akiyama
Publication year - 2022
Publication title -
journal of chemical information and modeling
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.24
H-Index - 160
eISSN - 1549-960X
pISSN - 1549-9596
DOI - 10.1021/acs.jcim.2c00931
Subject(s) - membrane , permeation , molecular dynamics , chemistry , lipid bilayer , membrane permeability , permeability (electromagnetism) , phospholipid , biophysics , bilayer , biochemistry , computational chemistry , biology
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