ArticleEuropean biophysics journal : EBJ2003
Improved 3D continuum calculations of ion flux through membrane channels.
Article in European biophysics journal : EBJ, 2003. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
- Computational electrophysiology: the molecular dynamics of ion channel permeation and selectivity in atomistic detail.Biophysical journal · 2011Article
- Testing the applicability of Nernst-Planck theory in ion channels: comparisons with Brownian dynamics simulations.PloS one · 2011Article
- Rectification properties and pH-dependent selectivity of meningococcal class 1 porin.Biophysical journal · 2008Article
- Influence of protein flexibility on the electrostatic energy landscape in gramicidin A.European biophysics journal : EBJ · 2005Article
- Finite element solution of the steady-state Smoluchowski equation for rate constant calculations.Biophysical journal · 2004Article
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Authors and funding
4 authors.
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Abstract
A continuum model, based on the Poisson-Nernst-Planck (PNP) theory, is applied to simulate steady-state ion flux through protein channels. The PNP equations are modified to explicitly account (1) for the desolvation of mobile ions in the membrane pore and (2) for effects related to ion sizes. The proposed algorithm for a three-dimensional self-consistent solution of PNP equations, in which final results are refined by a focusing technique, is shown to be suitable for arbitrary channel geometry and arbitrary protein charge distribution. The role of the pore shape and protein charge distribution in formation of basic electrodiffusion properties, such as channel conductivity and selectivity, as well as concentration distributions of mobile ions in the pore region, are illustrated by simulations on model channels. The influence of the ionic strength in the bulk solution and of the externally applied electric field on channel properties are also discussed.
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