Prediction of ion channel transport from Grote—Hynes and Kramers theories
Prediction of ion channel transport from Grote—Hynes and Kramers theories
复制标题
根据 Grote-Hynes 和 Kramers 理论预测离子通道传输
DOI：
10.1080/00268970210124828
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发表时间：
2002
影响因子：
1.7
通讯作者：
C. Gray
中科院分区：
文献类型：
--
作者：
I. Tolokh;G. W. White;S. Goldman;C. Gray
采用基于广义朗之万方程的Grote-Hynes （GH）理论和基于朗之万方程的Kramers理论，计算了选择性过滤器中含有高势垒的生物钾离子通道IRK1模型中K+扩散的透射系数。离子摩擦核是通过分子动力学（MD）模拟势垒顶部固定离子的作用力来确定的。将GH和Kramers估计的透射系数与离子在IRK1通道势垒顶部扩散的MD模拟结果进行了比较。研究发现，生长激素估计值与严格的MD确定的值一致，但Kramers估计值大约小了40%。讨论了GH理论和Kramers理论在其他各种系统中的成功或失败，并与这些结果进行了比较。
Generalized Langevin equation based Grote—Hynes (GH) theory and Langevin equation based Kramers theory are used to calculate the transmission coefficient for K+ diffusion through a model of the biological potassium ion channel IRK1, which contains a high potential barrier in the selectivity filter. The ion friction kernel is determined from a molecular dynamics (MD) simulation of the force on a stationary ion at the barrier top. The GH and Kramers estimates of the transmission coefficient are compared with those obtained from MD simulations of ion diffusion at the barrier top of the IRK1 channel. It is found that the GH estimate agrees with the value determined by rigorous MD, but the Kramers estimate is about 40% too small. The success or failure of GH and Kramers theories for various other systems is discussed and compared with these results.
单离子占据通道中离子运动的随机理论。
影响因子：
3.4
作者：
Jakobsson,E;Chiu,SW
通讯作者：
Chiu,SW