Free Energy for the Permeation of Na+ and Cl− Ions and Their Ion-Pair through a Zwitterionic Dimyristoyl Phosphatidylcholine Lipid Bilayer by Umbrella Integration with Harmonic Fourier Beads
Author:
Affiliation:
1. Howard Hughes Medical Institute, Center for Theoretical Biological Physics, Department of Chemistry and Biochemistry, and Department of Pharmacology, University of California—San Diego, La Jolla, California 92093-0365
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja8081704
Reference105 articles.
1. Molecular dynamics simulations of lipid bilayers
2. Aqueous Solutions next to Phospholipid Membrane Surfaces: Insights from Simulations
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5. Mechanism of ion escape from phosphatidylcholine and phosphatidylserine single bilayer vesicles
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