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[Molecular dynamics simulation of packing and mobility of lipids in bilayer membranes]. 2011

D V Zlenko, and P M Krasil'nikov, and A B Rubin

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.

UI MeSH Term Description Entries
D008051 Lipid Bilayers Layers of lipid molecules which are two molecules thick. Bilayer systems are frequently studied as models of biological membranes. Bilayers, Lipid,Bilayer, Lipid,Lipid Bilayer
D008956 Models, Chemical Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment. Chemical Models,Chemical Model,Model, Chemical
D050866 Liquid Crystals Materials in intermediate state between solid and liquid. Liquid Crystalline Materials,Mesomorphous Phase Materials,Crystal, Liquid,Crystals, Liquid,Liquid Crystal,Material, Mesomorphous Phase,Materials, Mesomorphous Phase,Mesomorphous Phase Material

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