ArticleBiophysical journal2003
Dielectric self-energy in Poisson-Boltzmann and Poisson-Nernst-Planck models of ion channels.
Article in Biophysical journal, 2003. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed.
- Computational methods and theory for ion channel research.Advances in physics: X · 2022Article
- Molecular Mean-Field Theory of Ionic Solutions: A Poisson-Nernst-Planck-Bikerman Model.Entropy (Basel, Switzerland) · 2020Review
- Article
- The new nanophysiology: regulation of ionic flow in neuronal subcompartments.Nature reviews. Neuroscience · 2015Review
- Multiscale Multiphysics and Multidomain Models I: Basic Theory.Journal of theoretical & computational chemistry · 2013Article
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
- Variational multiscale models for charge transport.SIAM review. Society for Industrial and Applied Mathematics · 2012Article
- A method for treating the passage of a charged hard sphere ion as it passes through a sharp dielectric boundary.The Journal of chemical physics · 2011Article
- Poisson-Boltzmann-Nernst-Planck model.The Journal of chemical physics · 2011Article
- Testing the applicability of Nernst-Planck theory in ion channels: comparisons with Brownian dynamics simulations.PloS one · 2011Article
- Multiple Scales in the Simulation of Ion Channels and Proteins.The journal of physical chemistry. C, Nanomaterials and interfaces · 2010Article
- Energy variational analysis of ions in water and channels: Field theory for primitive models of complex ionic fluids.The Journal of chemical physics · 2010Article
- Dynamics of voltage profile in enzymatic ion transporters, demonstrated in electrokinetics of proton pumping rhodopsin.Biophysical journal · 2008Article
- Influence of nonlinear electrostatics on transfer energies between liquid phases: charge burial is far less expensive than Born model.Proceedings of the National Academy of Sciences of the United States of America · 2008Article
- Conduction properties of KcsA measured using brownian dynamics with flexible carbonyl groups in the selectivity filter.Biophysical journal · 2007Article
- Application of the Poisson-Nernst-Planck theory with space-dependent diffusion coefficients to KcsA.Biophysical journal · 2006Article
- Computing numerically the access resistance of a pore.European biophysics journal : EBJ · 2005Article
- Influence of protein flexibility on the electrostatic energy landscape in gramicidin A.European biophysics journal : EBJ · 2005Article
- On the importance of atomic fluctuations, protein flexibility, and solvent in ion permeation.The Journal of general physiology · 2004Article
- Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theory.Biophysical journal · 2004Article
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3 authors.
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No grant is acknowledged in the PubMed record.
Abstract
We demonstrated previously that the two continuum theories widely used in modeling biological ion channels give unreliable results when the radius of the conduit is less than two Debye lengths. The reason for this failure is the neglect of surface charges on the protein wall induced by permeating ions. Here we attempt to improve the accuracy of the Poisson-Boltzmann and Poisson-Nernst-Planck theories, when applied to channel-like environments, by including a specific dielectric self-energy term to overcome spurious shielding effects inherent in these theories. By comparing results with Brownian dynamics simulations, we show that the inclusion of an additional term in the equations yields significant qualitative improvements. The modified theories perform well in very wide and very narrow channels, but are less successful at intermediate sizes. The situation is worse in multi-ion channels because of the inability of the continuum theories to handle the ion-to-ion interactions correctly. Thus, further work is required if these continuum theories are to be reliably salvaged for quantitative studies of biological ion channels in all situations.
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