Continuum Electrostatics Fails to Describe Ion Permeation in the Gramicidin Channel
We investigate the validity of continuum electrostatics in the gramicidin A channel using a recently determined high-resolution structure. The potential and electric field acting on ions in and around the channel are computed by solving Poisson's equation. These are then used in Brownian dynamics simulations to obtain concentration profiles and the current passing through the channel. We show that regardless of the effective dielectric constant used for water in the channel or the channel...[Show more]
|Collections||ANU Research Publications|
|01_Edwards_Continuum_Electrostatics_Fails_2002.pdf||432.85 kB||Adobe PDF||Request a copy|
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.