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

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• 作者：George Khelashvili ; Benjamin Kollmitzer ; Peter Heftberger ; Georg Pabst ; Daniel Harries
• 刊名：Journal of Chemical Theory and Computation
• 出版年：2013
• 出版时间：September 10, 2013
• 年：2013
• 卷：9
• 期：9
• 页码：3866-3871
• 全文大小：274K
• 年卷期：v.9,no.9(September 10, 2013)
• ISSN：1549-9626

文摘

We establish a computational approach to extract the bending modulus, K_C, for lipid membranes from relatively small-scale molecular simulations. Fluctuations in the splay of individual pairs of lipids faithfully inform on K_C 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 K_C in protein-laden membranes.