Measuring the Spontaneous Curvature of Bilayer Membranes by Molecular Dynamics Simulations

Measuring the Spontaneous Curvature of Bilayer Membranes by Molecular Dynamics Simulations

Year:    2013

Communications in Computational Physics, Vol. 13 (2013), Iss. 4 : pp. 1093–1106

Abstract

We propose a mathematically rigorous method to measure the spontaneous curvature of a bilayer membrane by molecular dynamics (MD) simulation, which provides description of the molecular mechanisms that cause the spontaneous curvature. As a main result, for the membrane setup investigated, the spontaneous curvature is proved to be a constant plus twice the mean curvature of the membrane in its tensionless ground state. The spontaneous curvature due to the built-in transbilayer asymmetry of the membrane in terms of lipid shape is studied by the proposed method. A linear dependence of the spontaneous curvature with respect to the head-bead diameter difference and the lipid mixing ratio is discovered. The consistency with the theoretical results provides evidence supporting the validity of our method.


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Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/cicp.230411.230312a

Communications in Computational Physics, Vol. 13 (2013), Iss. 4 : pp. 1093–1106

Published online:    2013-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    14

Keywords: