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两种建模离子通过具有内部结合位点的跨膜通道渗透方法的等效性。

Equivalence of two approaches for modeling ion permeation through a transmembrane channel with an internal binding site.

机构信息

Department of Physics and Institute of Molecular Biophysics, Tallahassee, Florida 32306, USA.

出版信息

J Chem Phys. 2011 Apr 7;134(13):135101. doi: 10.1063/1.3575585.

Abstract

Ion permeation through transmembrane channels has traditionally been modeled using two different approaches. In one approach, the translocation of the permeant ion through the channel pore is modeled as continuous diffusion and the rate of ion transport is obtained from solving the steady-state diffusion equation. In the other approach, the translocation of the permeant ion through the pore is modeled as hopping along a discrete set of internal binding sites and the rate of ion transport is obtained from solving a set of steady-state rate equations. In a recent work [Zhou, J. Phys. Chem. Lett. 1, 1973 (2010)], the rate constants for binding to an internal site were further calculated by modeling binding as diffusion-influenced reactions. That work provided the foundation for bridging the two approaches. Here we show that, by representing a binding site as an energy well, the two approaches indeed give the same result for the rate of ion transport.

摘要

跨膜通道中的离子渗透传统上采用两种不同的方法进行建模。一种方法是将可渗透离子穿过通道孔的迁移建模为连续扩散,并从求解稳态扩散方程中获得离子传输的速率。另一种方法是将可渗透离子穿过孔的迁移建模为沿着离散的一组内部结合位点的跳跃,并从求解一组稳态速率方程中获得离子传输的速率。在最近的一项工作[Zhou, J. Phys. Chem. Lett. 1, 1973 (2010)]中,通过将结合建模为扩散影响的反应,进一步计算了与内部位点结合的速率常数。这项工作为连接这两种方法奠定了基础。在这里,我们表明,通过将一个结合位点表示为一个能阱,两种方法确实给出了离子传输速率相同的结果。

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