Skip navigation
Skip navigation

Permeation in Gramicidin Ion Channels by Directly Estimating the Potential of Mean force Using Brownian Dynamics Simulations

Krishnamurthy, Vikram; Hoyles, Matthew; Saab, Rayan; Chung, Shin-Ho

Description

We present a method for estimating the 'best-fit' potential of mean force encountered by an ion permeating across the gramicidin-A ion channel. The proposed method does not require explicit use of a dielectric constant and can be applied to other ion channels. The potential of mean force is parameterized and its parameters are estimated using a stochastic optimization algorithm that controls Brownian dynamics simulations. A loss function measuring the differences between currents simulated...[Show more]

CollectionsANU Research Publications
Date published: 2006
Type: Journal article
URI: http://hdl.handle.net/1885/35369
Source: Journal of Computational and Theoretical Nanoscience
DOI: 10.1166/jctn.2006.010

Download

There are no files associated with this item.


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  12 November 2018/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator