A lattice relaxation algorithm for three-dimensional Poisson-Nernst-Planck theory with application to ion transport through the gramicidin A channel

被引：230
作者：
Kurnikova, MG
Coalson, RD [1 ]
Graf, P
Nitzan, A
机构：
[1] Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA
[2] Tel Aviv Univ, Dept Chem, IL-69978 Tel Aviv, Israel
来源：
BIOPHYSICAL JOURNAL | 1999年 / 76卷 / 02期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1016/S0006-3495(99)77232-2
中图分类号：
Q6 [生物物理学];
学科分类号：
071011 ;
摘要：
A lattice relaxation algorithm is developed to solve the Poisson-Nernst-Planck (PNP) equations for ion transport through arbitrary three-dimensional volumes. Calculations of systems characterized by simple parallel plate and cylindrical pore geometries are presented in order to calibrate the accuracy of the method. A study of ion transport through gramicidin A dimer is carried out within this PNP framework. Good agreement with experimental measurements is obtained. Strengths and weaknesses of the PNP approach are discussed.
引用
收藏
页码：642 / 656
页数：15
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