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Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases.


ABSTRACT: We establish a computational approach to extract the bending modulus, KC , for lipid membranes from relatively small-scale molecular simulations. Fluctuations in the splay of individual pairs of lipids faithfully inform on KC in multicomponent membranes over a large range of rigidities in different thermodynamic phases. Predictions are validated by experiments even where the standard spectral analysis-based methods fail. The local nature of this method potentially allows its extension to calculations of KC in protein-laden membranes.

SUBMITTER: Khelashvili G 

PROVIDER: S-EPMC3770052 | biostudies-literature | 2013 Sep

REPOSITORIES: biostudies-literature

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Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases.

Khelashvili George G   Kollmitzer Benjamin B   Heftberger Peter P   Pabst Georg G   Harries Daniel D  

Journal of chemical theory and computation 20130901 9


We establish a computational approach to extract the bending modulus, <i>K</i><sub><i>C</i></sub> , for lipid membranes from relatively small-scale molecular simulations. Fluctuations in the splay of individual pairs of lipids faithfully inform on <i>K</i><sub><i>C</i></sub> in multicomponent membranes over a large range of rigidities in different thermodynamic phases. Predictions are validated by experiments even where the standard spectral analysis-based methods fail. The local nature of this  ...[more]

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