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Continuum Electrostatics Fails to Describe Ion Permeation in the Gramicidin Channel

Edwards, Scott; Corry, Ben; Kuyucak, Serdar; Chung, Shin-Ho

Description

We investigate the validity of continuum electrostatics in the gramicidin A channel using a recently determined high-resolution structure. The potential and electric field acting on ions in and around the channel are computed by solving Poisson's equation. These are then used in Brownian dynamics simulations to obtain concentration profiles and the current passing through the channel. We show that regardless of the effective dielectric constant used for water in the channel or the channel...[Show more]

CollectionsANU Research Publications
Date published: 2002
Type: Journal article
URI: http://hdl.handle.net/1885/92182
Source: Biophysical Journal

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