Self-Consistent Particle Simulation of Ion Channels

Authors: Millar, Campbell; Asenov, Asen; Roy, S.

Source: Journal of Computational and Theoretical Nanoscience, Volume 2, Number 1, March 2005 , pp. 56-67(12)

Publisher: American Scientific Publishers

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Abstract:

Ionic Channels allow the transport of biologically necessary ions across the barrier formed by the membrane of a cell. Simulating the behaviour of ions as they traverse the Protein molecules which form the channel, presents a number of novel difficulties from both the computational and physical perspectives. We present a simulation methodology based upon the self-consistent solution of the Poisson and Langevin equations which allows the simulation of ion behaviour in extremely small pores, over timescales of picoseconds to microseconds.

Keywords: BROWNIAN DYNAMICS; ION CHANNEL SIMULATION; KCSA; ION CONDUCTION

Document Type: Research article

DOI: 10.1166/jctn.2005.004

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