Literature DB >> 9929470

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

M G Kurnikova1, R D Coalson, P Graf, A Nitzan.   

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.

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Year:  1999        PMID: 9929470      PMCID: PMC1300070          DOI: 10.1016/S0006-3495(99)77232-2

Source DB:  PubMed          Journal:  Biophys J        ISSN: 0006-3495            Impact factor:   4.033


  35 in total

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Authors:  D P Chen; V Barcilon; R S Eisenberg
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Journal:  Nature       Date:  1992-08-27       Impact factor: 49.962

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Journal:  Biophys J       Date:  1991-02       Impact factor: 4.033

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Review 9.  Electrostatic interactions in macromolecules: theory and applications.

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Journal:  Physiol Rev       Date:  1992-10       Impact factor: 37.312

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  71 in total

1.  Statistical mechanical equilibrium theory of selective ion channels.

Authors:  B Roux
Journal:  Biophys J       Date:  1999-07       Impact factor: 4.033

2.  Framework model for single proton conduction through gramicidin.

Authors:  M F Schumaker; R Pomès; B Roux
Journal:  Biophys J       Date:  2001-01       Impact factor: 4.033

3.  Three-dimensional Poisson-Nernst-Planck theory studies: influence of membrane electrostatics on gramicidin A channel conductance.

Authors:  A E Cárdenas; R D Coalson; M G Kurnikova
Journal:  Biophys J       Date:  2000-07       Impact factor: 4.033

4.  Tests of continuum theories as models of ion channels. II. Poisson-Nernst-Planck theory versus brownian dynamics.

Authors:  B Corry; S Kuyucak; S H Chung
Journal:  Biophys J       Date:  2000-05       Impact factor: 4.033

5.  Model channel ion currents in NaCl-extended simple point charge water solution with applied-field molecular dynamics.

Authors:  P S Crozier; D Henderson; R L Rowley; D D Busath
Journal:  Biophys J       Date:  2001-12       Impact factor: 4.033

6.  The role of the dielectric barrier in narrow biological channels: a novel composite approach to modeling single-channel currents.

Authors:  Artem B Mamonov; Rob D Coalson; Abraham Nitzan; Maria G Kurnikova
Journal:  Biophys J       Date:  2003-06       Impact factor: 4.033

7.  Dielectric self-energy in Poisson-Boltzmann and Poisson-Nernst-Planck models of ion channels.

Authors:  Ben Corry; Serdar Kuyucak; Shin-Ho Chung
Journal:  Biophys J       Date:  2003-06       Impact factor: 4.033

8.  Electrostatic influence on ion transport through the alphaHL channel.

Authors:  M Misakian; J J Kasianowicz
Journal:  J Membr Biol       Date:  2003-10-01       Impact factor: 1.843

9.  Improved 3D continuum calculations of ion flux through membrane channels.

Authors:  Assen Koumanov; Ulrich Zachariae; Harald Engelhardt; Andrey Karshikoff
Journal:  Eur Biophys J       Date:  2003-07-18       Impact factor: 1.733

10.  On the importance of atomic fluctuations, protein flexibility, and solvent in ion permeation.

Authors:  Toby W Allen; O S Andersen; Benoit Roux
Journal:  J Gen Physiol       Date:  2004-12       Impact factor: 4.086

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