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arXiv 1002.4089physics.bio-ph
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拉伸条件下膜的粗粒度模拟

Coarse-Grained Simulations of Membranes under Tension

Jörg Neder, Beate West, Peter Nielaba, Friederike Schmid

摘要:

我们研究了张力下膜的性质的蒙特卡罗模拟的一个通用的粗粒度模型的脂质双层。我们给出了一个包括概述的几个膜特性的行为,如每脂质的面积,单层重叠,的顺序,和压力分布。这两个低温制度,其中的膜是在凝胶相,和高温制度,其中它们是在流体相,被认为是。在凝胶状态下,膜几乎不受张力的影响。在流体状态下,高张力导致膜的结构变化,这导致不同的可压缩性状态。波纹状态,这是发现在张力为零的流体和凝胶相之间的过渡制度,在张力下消失,并让位于交叉相。我们还研究了流体相中的膜波动。在低张力状态下,数据可以很好地拟合到适当扩展的弹性理论。在较高的张力下,弹性拟合始终低估了长波长波动的强度。最后,我们研究了张力对简单跨膜内含物之间有效相互作用的影响,并表明张力可用于调节膜蛋白之间的疏水错配相互作用。

英文摘要:

We investigate the properties of membranes under tension by Monte-Carlo simulations of a generic coarse-grained model for lipid bilayers. We give a comprising overview of the behavior of several membrane characteristics, such as the area per lipid, the monolayer overlap, the nematic order, and pressure profiles. Both the low-temperature regime, where the membranes are in a gel phase, and the high-temperature regime, where they are in the fluid phase, are considered. In the gel state, the membrane is hardly influenced by tension. In the fluid state, high tensions lead to structural changes in the membrane, which result in different compressibility regimes. The ripple state, which is found at tension zero in the transition regime between the fluid and the gel phase, disappears under tension and gives way to an interdigitated phase. We also study the membrane fluctuations in the fluid phase. In the low tension regime the data can be fitted nicely to a suitably extended elastic theory. At higher tensions the elastic fit consistently underestimates the strength of long-wavelength fluctuations. Finally, we investigate the influence of tension on the effective interaction between simple transmembrane inclusions and show that tension can be used to tune the hydrophobic mismatch interaction between membrane proteins.

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