Testing the applicability of Nernst-Planck theory in ion channels: comparisons with Brownian dynamics simulations.

ABSTRACT: The macroscopic Nernst-Planck (NP) theory has often been used for predicting ion channel currents in recent years, but the validity of this theory at the microscopic scale has not been tested. In this study we systematically tested the ability of the NP theory to accurately predict channel currents by combining and comparing the results with those of Brownian dynamics (BD) simulations. To thoroughly test the theory in a range of situations, calculations were made in a series of simplified cylindrical channels with radii ranging from 3 to 15 Å, in a more complex 'catenary' channel, and in a realistic model of the mechanosensitive channel MscS. The extensive tests indicate that the NP equation is applicable in narrow ion channels provided that accurate concentrations and potentials can be in

SUBMITTER: Song C 

PROVIDER: S-EPMC3121742 | biostudies-literature | 2011

REPOSITORIES: biostudies-literature