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Permeation and Block of the Kv1.2 Channel Examined Using Brownian and Molecular Dynamics

Gordon, Dan; Chung, Shin-Ho


Using both Brownian and molecular dynamics, we replicate many of the salient features of Kv1.2, including the current-voltage-concentration profiles and the binding affinity and binding mechanisms of charybdotoxin, a scorpion venom. We also elucidate how structural differences in the inner vestibule can give rise to significant differences in its permeation characteristics. Current-voltage-concentration profiles are constructed using Brownian dynamics simulations, based on the crystal structure...[Show more]

CollectionsANU Research Publications
Date published: 2011
Type: Journal article
Source: Biophysical Journal
DOI: 10.1016/j.bpj.2011.10.045


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