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Conducting-State Properties of the KcsA Potassium Channel from Molecular and Brownian Dynamics Simulations

Chung, Shin-Ho; Allen, Toby; Kuyucak, Serdar


The mechanisms underlying transport of ions across the potassium channel are examined using electrostatic calculations and three-dimensional Brownian dynamics simulations. We first build open-state configurations of the channel with molecular dynamics simulations, by pulling the transmembrane helices outward until the channel attains the desired interior radius. To gain insights into ion permeation, we construct potential energy profiles experienced by an ion traversing the channel in the...[Show more]

CollectionsANU Research Publications
Date published: 2002
Type: Journal article
Source: Biophysical Journal


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