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Coarse-grained simulation of transmembrane peptides in the gel phase
Journal article   Peer reviewed

Coarse-grained simulation of transmembrane peptides in the gel phase

Ibrahim H. Al-Lehyani, John M. A. Grime, Matthew Bano, Kim McKelvey and Michael P. Allen
Journal of computational physics, Vol.238, pp.97-105
01/04/2013

Abstract

Computer Science Computer Science, Interdisciplinary Applications Physical Sciences Physics Physics, Mathematical Science & Technology Technology
We use dissipative particle dynamics simulations, combined with parallel tempering and umbrella sampling, to investigate the potential of mean force between model transmembrane peptides in the various phases of a lipid bilayer, including the low-temperature gel phase. The observed oscillations in the effective interaction between peptides are consistent with the different structures of the surrounding lipid phases. (C) 2013 Elsevier Inc. All rights reserved.

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