Effect of undulations on surface tension in simulated bilayers

Marrink, S. J. and Mark, A. E. (2001) Effect of undulations on surface tension in simulated bilayers. Journal of Physical Chemistry B, 105 26: 6122-6127. doi:10.1021/jp0103474


Author Marrink, S. J.
Mark, A. E.
Title Effect of undulations on surface tension in simulated bilayers
Journal name Journal of Physical Chemistry B
ISSN 1089-5647
Publication date 2001-01-01
Sub-type Article (original research)
DOI 10.1021/jp0103474
Volume 105
Issue 26
Start page 6122
End page 6127
Total pages 6
Place of publication Washington
Publisher American Chemical Society
Language eng
Abstract To understand the effect of the finite size of simulation cells on the equilibrium properties of bilayers, an extensive series of glycerolmonoolein bilayer molecular dynamics simulations in which the surface area and system size-were systematically changed have been conducted. Systems ranging from 200 to 1800 lipids were simulated, covering length scales up to 20 nm. The dependence of the surface tension on the area per lipid is shown, although long simulation times were needed (up to 40 ns) to obtain reliable estimates. As the size of simulated patches increases, long wavelength undulatory modes appear with a concomitant/increase in the area compressibility due to coupling of undulation modes to area fluctuations. Both the undulatory intensities and the peristaltic intensities of the-bilayer fluctuations can be fitted in the long wavelength limit to continuum model predictions. The effect of system size on surface tension appears to depend on the stress conditions.
Keyword Chemistry, Physical
Molecular-dynamics Simulations
Lipid Bilayers
Boundary-conditions
Membranes
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Chemistry and Molecular Biosciences
 
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Created: Thu, 20 Sep 2007, 05:04:22 EST