Volume 13, Issue 4
Measuring the Spontaneous Curvature of Bilayer Membranes by Molecular Dynamics Simulations

Han Wang, Dan Hu & Pingwen Zhang

Commun. Comput. Phys., 13 (2013), pp. 1093-1106.

Published online: 1970-01

Preview Full PDF 98 817
Export citation
  • 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.

  • Keywords

  • AMS Subject Headings

  • Copyright

COPYRIGHT: © Global Science Press

  • Email address
  • BibTex
  • RIS
  • TXT
Copy to clipboard
The citation has been copied to your clipboard