Calculating the bending modulus for multicomponent lipid membranes in different thermodynamic phases

George Khelashvili*, Benjamin Kollmitzer, Peter Heftberger, Georg Pabst, Daniel Harries

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

93 Scopus citations

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.

Original languageAmerican English
Pages (from-to)3866-3871
Number of pages6
JournalJournal of Chemical Theory and Computation
Volume9
Issue number9
DOIs
StatePublished - 10 Sep 2013

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