All-Atom Simulation of ION Permeation in Single-File Channels
نویسندگان
چکیده
منابع مشابه
Not only enthalpy: large entropy contribution to ion permeation barriers in single-file channels.
The effect of channel length on the barrier for potassium ion permeation through single-file channels has been studied by means of all-atom molecular dynamics simulations. Using series of peptidic gramicidin-like and simplified ring-structured channels, both embedded in model membranes, we obtained two distinct types of behavior: saturation of the central free energy barriers for peptidic chann...
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How many steps are required to model permeation through ion channels? This question is investigated by comparing one- and two-step models of permeation with experiment and MD simulation for the first time. In recent MD simulations, the observed permeation mechanism was identified as resembling a Hodgkin and Keynes knock-on mechanism with one voltage-dependent rate-determining step [Jensen et al...
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Ion channels are formed by specific proteins embedded in the cell membrane and provide pathways for fast and controlled flow of selected ions down their electrochemical gradient. This activity generates action potentials in nerves, muscles and other excitable cells, and forms the basis of all movement, sensation and thought processes in living beings. While the functional properties of ion chan...
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The difficulty in characterizing ion conduction through membrane channels at the level of individual permeation events has made it challenging to elucidate the mechanistic principles underpinning this fundamental physiological process. Using long, all-atom simulations enabled by special-purpose hardware, we studied K(+) permeation across the KV1.2/2.1 voltage-gated potassium channel. At experim...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2014
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2013.11.114