期刊
CHEMISTRY AND PHYSICS OF LIPIDS
卷 192, 期 -, 页码 60-74出版社
ELSEVIER IRELAND LTD
DOI: 10.1016/j.chemphyslip.2015.07.014
关键词
Area per lipid; Bending modulus; Area compressibility modulus; Spontaneous curvature; Gaussian curvature modulus; CHARMM 36 force field
资金
- Intramural Research Program of the NIH, National Heart, Lung and Blood Institute
- National Science Foundation [CHE-1153096, CHE-1465162]
- Direct For Mathematical & Physical Scien [1153096] Funding Source: National Science Foundation
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1465162] Funding Source: National Science Foundation
- Division Of Chemistry [1153096] Funding Source: National Science Foundation
Lipid areas (A(l)), bilayer area compressibilities (K-A), bilayer bending constants (K-C), and monolayer spontaneous curvatures (c(0)) from simulations using the CHARMM36 force field are reported for 12 representative homogenous lipid bilayers. A(l) (or their surrogate, the average deuterium order parameter in the plateau region of the chain) agree very well with experiment, as do the K-A. Simulated K-C are in near quantitative agreement with vesicle flicker experiments, but are somewhat larger than K-C from X-ray, pipette aspiration, and neutron spin echo for saturated lipids. Spontaneous curvatures of bilayer leaflets from the simulations are approximately 30% smaller than experimental values of monolayers in the inverse hexagonal phase. Published by Elsevier Ireland Ltd.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据