ArticlePloS one2011
Testing the applicability of Nernst-Planck theory in ion channels: comparisons with Brownian dynamics simulations.
Article in PloS one, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Nernst equilibrium, rectification, and saturation: Insights into ion channel behavior.Biophysical journal · 2024Article
- Nernst Equilibrium, Rectification, and Saturation: Insights into Ion Channel Behavior.bioRxiv : the preprint server for biology · 2024Article
- Effects of channel size, wall wettability, and electric field strength on ion removal from water in nanochannels.Scientific reports · 2022Article
- Simulating Current-Voltage Relationships for a Narrow Ion Channel Using the Weighted Ensemble Method.Journal of chemical theory and computation · 2015Article
- Selecting ions by size in a calcium channel: the ryanodine receptor case study.Biophysical journal · 2014Article
- Collective diffusion model for ion conduction through microscopic channels.Biophysical journal · 2013Article
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
Corrections and comments
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Authors and funding
2 authors.
Funding
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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 input as the currents obtained from the combination of BD and NP match well with those obtained directly from BD simulations, although some discrepancies are seen when the ion concentrations are not radially uniform. This finding opens a door to utilising the results of microscopic simulations in continuum theory, something that is likely to be useful in the investigation of a range of biophysical and nano-scale applications and should stimulate further studies in this direction.
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