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脂质双层通用粗粒模型中的膜蛋白相互作用。

Membrane-protein interactions in a generic coarse-grained model for lipid bilayers.

机构信息

Fakultät für Physik, Universität Bielefeld, Bielefeld, Germany.

出版信息

Biophys J. 2009 Jan;96(1):101-15. doi: 10.1529/biophysj.108.138677.

Abstract

We study membrane-protein interactions and membrane-mediated protein-protein interactions by Monte Carlo simulations of a generic coarse-grained model for lipid bilayers with cylindrical hydrophobic inclusions. The strength of the hydrophobic force and the hydrophobic thickness of the proteins are systematically varied. The results are compared with analytical predictions of two popular analytical theories: The Landau-de Gennes theory and the elastic theory. The elastic theory provides an excellent description of the fluctuation spectra of pure membranes and successfully reproduces the deformation profiles of membranes around single proteins. However, its prediction for the potential of mean force between proteins is not compatible with the simulation data for large distances. The simulations show that the lipid-mediated interactions are governed by five competing factors: direct interactions; lipid-induced depletion interactions; lipid bridging; lipid packing; and a smooth long-range contribution. The mechanisms leading to hydrophobic mismatch interactions are critically analyzed.

摘要

我们通过对具有圆柱状疏水嵌段的脂质双层的通用粗粒模型进行蒙特卡罗模拟来研究膜蛋白相互作用和膜介导的蛋白质-蛋白质相互作用。系统地改变疏水相互作用力的强度和蛋白质的疏水厚度。将结果与两种流行的分析理论的分析预测进行比较:朗道-德根内斯理论和弹性理论。弹性理论对纯膜的涨落谱提供了极好的描述,并成功地再现了单蛋白周围膜的变形轮廓。然而,它对蛋白质之间平均力势能的预测与大距离下的模拟数据不相符。模拟表明,脂质介导的相互作用受五个竞争因素的控制:直接相互作用;脂质诱导的耗尽相互作用;脂质桥接;脂质堆积;以及平滑的长程贡献。对导致疏水失配相互作用的机制进行了批判性分析。

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Phys Rev E Stat Nonlin Soft Matter Phys. 2006 Nov;74(5 Pt 1):051503. doi: 10.1103/PhysRevE.74.051503. Epub 2006 Nov 7.
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Elastic curvature constants of lipid monolayers and bilayers.脂质单层膜和双层膜的弹性曲率常数。
Chem Phys Lipids. 2006 Nov-Dec;144(2):146-59. doi: 10.1016/j.chemphyslip.2006.08.004. Epub 2006 Sep 6.

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