A Coarse Grain Model for Phospholipid Simulations

A coarse grain model for phospholipids was systematically parametrized to mimic structural properties obtained from an atomistic simulation of a dimyristoylphosphatidylcholine bilayer. The model semiquantitatively reproduces the cross-sectional structure of a preassembled phospholipid bilayer obtain...

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Bibliographic Details
Published inThe journal of physical chemistry. B Vol. 105; no. 19; pp. 4464 - 4470
Main Authors Shelley, John C, Shelley, Mee Y, Reeder, Robert C, Bandyopadhyay, Sanjoy, Klein, Michael L
Format Journal Article
LanguageEnglish
Published American Chemical Society 17.05.2001
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Summary:A coarse grain model for phospholipids was systematically parametrized to mimic structural properties obtained from an atomistic simulation of a dimyristoylphosphatidylcholine bilayer. The model semiquantitatively reproduces the cross-sectional structure of a preassembled phospholipid bilayer obtained from an atomistic simulation; a property that was not directly fit. The model is sufficiently fast to permit the simulation of the self-assembly of the bilayer starting from a random configuration.
Bibliography:istex:D864E946157414985BD58664DB61BBE834933118
ark:/67375/TPS-P7L9C0T3-Q
ISSN:1520-6106
1520-5207
DOI:10.1021/jp010238p