Molecular dynamics simulation of lipid packing and mobility in bilayer membranes |
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| Authors: | D V Zlenko P M Krasilnikov A B Rubin |
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| Institution: | 1.Biological Faculty,Moscow State University,Moscow,Russia |
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| Abstract: | A model of lipid bilayer membrane in water has been developed. Parameters have been selected that allow molecular dynamics
simulation of lipid bilayers in the all-atom approximation. The calculated indices of packing and mobility of lipid molecules
for the liquid crystalline state of the bilayer agree well with the 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 gel-state model reproduces well the packing
of lipids in real bilayers, whereas the mobility of molecules proves to be overestimated. |
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