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Adaptive Brownian Dynamics Simulation for Estimating Potential Mean Force in Ion Channel Permeation

Date

Authors

Krishnamurthy, Vikram

Chung, Shin-Ho

Publisher

Institute of Electrical and Electronics Engineers (IEEE Inc)

Abstract

Ion channels are biological nanotubes formed by large protein molecules in the cell membrane. This paper presents a novel multiparticle simulation methodology, which we call adaptive controlled Brownian dynamics, for estimating the force experienced by a

Keywords

Keywords: Brownian dynamics; Gramicidin; Ion channel; Ion permeation; Potential mean force; Stochastic optimization; Algorithms; Biological membranes; Cells; Computer simulation; Electrochemistry; Molecular dynamics; Proteins; Brownian movement; gramicidin; ion cha Brownian dynamics; Gramicidin; Ion channel; Ion permeation; Potential mean force; Stochastic optimization

URI

http://hdl.handle.net/1885/35460

Collections

ANU Research Publications

Source

IEEE Transactions on Nanobioscience

Type

Journal article

DOI

10.1109/TNB.2006.875035

Restricted until

2037-12-31

Downloads

File

Description

01_Krishnamurthy_Adaptive_Brownian_Dynamics_2006.pdf (454.7 KB)

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