PMID: 22587130May 17, 2012Paper

Ion fluxes through nanopores and transmembrane channels

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
J R BordinY Levin

Abstract

We introduce an implicit solvent Molecular Dynamics approach for calculating ionic fluxes through narrow nanopores and transmembrane channels. The method relies on a dual-control-volume grand-canonical molecular dynamics (DCV-GCMD) simulation and the analytical solution for the electrostatic potential inside a cylindrical nanopore recently obtained by Levin [Europhys. Lett. 76, 163 (2006)]. The theory is used to calculate the ionic fluxes through an artificial transmembrane channel which mimics the antibacterial gramicidin A channel. Both current-voltage and current-concentration relations are calculated under various experimental conditions. We show that our results are comparable to the characteristics associated to the gramicidin A pore, especially the existence of two binding sites inside the pore and the observed saturation in the current-concentration profiles.

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Citations

Mar 8, 2013·The Journal of Chemical Physics·Leandro B Krott, Marcia C Barbosa
May 24, 2014·The Journal of Chemical Physics·José Rafael BordinMarcia C Barbosa
Nov 5, 2016·Scientific Reports·J A Del Río, S Whitaker
May 12, 2018·Journal of Physics. Condensed Matter : an Institute of Physics Journal·N De MarchL G Brunnet
Oct 16, 2015·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·A P FurlanM C Barbosa
Aug 28, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Guilherme Volpe Bossa, Sylvio May
Aug 16, 2013·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·X W Meng, J P Huang
Jun 17, 2018·The Journal of Chemical Physics·Mateus Henrique KöhlerMarcia C Barbosa
Jun 27, 2020·Journal of Colloid and Interface Science·Amir LevyMartin Z Bazant
Feb 4, 2014·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Zhenwei YaoMonica Olvera de la Cruz
May 23, 2013·The Journal of Physical Chemistry. B·José Rafael BordinMarcia C Barbosa

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