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

Maria G. Kurnikova, Rob D. Coalson*, Peter Graf, Abraham Nitzan

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

238 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)642-656
Number of pages15
JournalBiophysical Journal
Volume76
Issue number2
DOIs
StatePublished - 1999

Funding

FundersFunder number
German-Israeli DIP
NSF of Israel
National Science FoundationCHE-9633561
Directorate for Mathematical and Physical Sciences9633561
University of Pittsburgh

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