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Updated: Jun 2, 2026

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
Published on: September 1, 2023
[Molecular dynamics simulation of packing and mobility of lipids in bilayer membranes]
Abstract:
A model of DSPC lipid membrane in gel and liquid-crystalline states has been developed. The parameters have been determined that enable one to calculate the molecular dynamics of lipid bilayers in the full-atromic approximation. The parameters of packing and mobility of lipid molecules for the liquid crystalline state of the bilayer have been calculated. The values agree well with experimental data. Based on the model of the liquid crystalline state of the membrane, a system in the gel-like state has been constructed. The model of the gel-like state reproduces well the packing of lipids in real bilayers, whereas the mobility of molecules in the gel-like state was found to be overestimated.
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