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

doi:10.1016/S0006-3495(99)77232-2

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

School of Chemistry

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	642-656
Number of pages	15
Journal	Biophysical Journal
Volume	76
Issue number	2
DOIs	https://doi.org/10.1016/S0006-3495(99)77232-2
State	Published - 1999

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10.1016/S0006-3495(99)77232-2

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

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.",

author = "Kurnikova, {Maria G.} and Coalson, {Rob D.} and Peter Graf and Abraham Nitzan",

note = "Funding Information: This work was supported in part by NSF Grant CHE-9633561 (to R. D. C.), a Mellon predoctoral fellowship from the University of Pittsburgh (to M. G. K.), and the NSF of Israel and the German-Israeli DIP (A. N.). ",

year = "1999",

doi = "10.1016/S0006-3495(99)77232-2",

language = "אנגלית",

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T1 - A lattice relaxation algorithm for three-dimensional Poisson-Nernst- Planck theory with application to ion transport through the gramicidin A channel

AU - Kurnikova, Maria G.

AU - Coalson, Rob D.

AU - Graf, Peter

AU - Nitzan, Abraham

N1 - Funding Information: This work was supported in part by NSF Grant CHE-9633561 (to R. D. C.), a Mellon predoctoral fellowship from the University of Pittsburgh (to M. G. K.), and the NSF of Israel and the German-Israeli DIP (A. N.).

PY - 1999

Y1 - 1999

N2 - 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.

AB - 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.

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JO - Biophysical Journal

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

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