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

被引:226
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
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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