Journal article
Framework Model For Single Proton Conduction through Gramicidin
Biophysical journal, Vol.80(1), pp.12-30
2001
Handle:
https://hdl.handle.net/2376/114746
PMCID: PMC1301211
PMID: 11159380
Abstract
This paper describes a framework model for proton conduction through gramicidin; a model designed to incorporate information from molecular dynamics and use this to predict conductance properties. The state diagram describes both motion of an excess proton within the pore as well as the reorientation of waters within the pore in the absence of an excess proton. The model is constructed as the diffusion limit of a random walk, allowing control over the boundary behavior of trajectories. Simple assumptions about the boundary behavior are made, which allow an analytical solution for the proton current and conductance. This is compared with corresponding expressions from statistical mechanics. The random walk construction allows diffusing trajectories underlying the model to be simulated in a simple way. Details of the numerical algorithm are described.
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Details
- Title
- Framework Model For Single Proton Conduction through Gramicidin
- Creators
- Mark F Schumaker - Department of Pure and Applied Mathematics, Washington State University, Pullman, Washington 99164-3113, USARégis Pomès - Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, New Mexico 87545Benoît Roux - Groupe de Recherche en Transport Membranaire, Départements de Physique et de Chimie, Université de Montréal, Québec H3C 3J7, Canada
- Publication Details
- Biophysical journal, Vol.80(1), pp.12-30
- Academic Unit
- Mathematics and Statistics, Department of
- Publisher
- Elsevier Inc
- Identifiers
- 99900547914101842
- Language
- English
- Resource Type
- Journal article