Ion fluxes through nanopores and transmembrane channels
dc.contributor.author | Bordin, José Rafael | pt_BR |
dc.contributor.author | Diehl, Alexandre | pt_BR |
dc.contributor.author | Barbosa, Marcia Cristina Bernardes | pt_BR |
dc.contributor.author | Levin, Yan | pt_BR |
dc.date.accessioned | 2014-08-26T09:26:16Z | pt_BR |
dc.date.issued | 2012 | pt_BR |
dc.identifier.issn | 1539-3755 | pt_BR |
dc.identifier.uri | http://hdl.handle.net/10183/101828 | pt_BR |
dc.description.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. | en |
dc.format.mimetype | application/pdf | pt_BR |
dc.language.iso | eng | pt_BR |
dc.relation.ispartof | Physical review. E, Statistical, nonlinear, and soft matter physics. Vol. 85, no. 3 (Mar. 2012), 031914, 7 p. | pt_BR |
dc.rights | Open Access | en |
dc.subject | Biofísica | pt_BR |
dc.subject | Dinâmica molecular | pt_BR |
dc.subject | Microorganismos | pt_BR |
dc.subject | Fenômeno bioelétrico | pt_BR |
dc.subject | Biomembranas | pt_BR |
dc.subject | Processos de transporte | pt_BR |
dc.title | Ion fluxes through nanopores and transmembrane channels | pt_BR |
dc.type | Artigo de periódico | pt_BR |
dc.identifier.nrb | 000836641 | pt_BR |
dc.type.origin | Estrangeiro | pt_BR |
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