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

被引：94

作者：

Khelashvili, George ^{[1
]}

Kollmitzer, Benjamin ^{[2
]}

Heftberger, Peter ^{[2
]}

Pabst, Georg ^{[2
]}

Harries, Daniel ^{[3
,4
]}

机构：

[1] Weill Cornell Med Coll, New York, NY 10065 USA

[2] Graz Univ, Inst Mol Biosci, Div Biophys, A-8042 Graz, Austria

[3] Hebrew Univ Jerusalem, Inst Chem, IL-91904 Jerusalem, Israel

[4] Hebrew Univ Jerusalem, Fritz Haber Res Ctr, IL-91904 Jerusalem, Israel

来源：

JOURNAL OF CHEMICAL THEORY AND COMPUTATION | 2013年 / 9卷 / 09期

基金：

奥地利科学基金会;

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; SPONTANEOUS CURVATURE; FORCE-FIELD; CHOLESTEROL; BILAYERS; PROTEINS; MODEL; TILT; ORIENTATION; MONOLAYER;

D O I：

10.1021/ct400492e

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：3866 / 3871

页数：6

共 33 条

[31] Determining Biomembrane Bending Rigidities from Simulations of Modest Size [J].