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 language | English |
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Pages (from-to) | 3866-3871 |
Number of pages | 6 |
Journal | Journal of Chemical Theory and Computation |
Volume | 9 |
Issue number | 9 |
DOIs | |
State | Published - 10 Sep 2013 |