Al-Lehyani, Ibrahim H., Grime, John M. A., Bano, Matthew, McKelvey, Kim M. (Kim Martin) and Allen, M. P. (2013) Coarse-grained simulation of transmembrane peptides in the gel phase. Journal of Computational Physics, Volume 238 . pp. 97-105. doi:10.1016/j.jcp.2012.12.014

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Abstract

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.

Item Type:	Journal Article
Subjects:	Q Science > QA Mathematics Q Science > QH Natural history > QH301 Biology
Divisions:	Faculty of Science > Molecular Organisation and Assembly in Cells (MOAC) Faculty of Science > Physics
Library of Congress Subject Headings (LCSH):	Dynamics of a particle, Bilayer lipid membranes -- Mathematical models, Peptides -- Mathematical models
Journal or Publication Title:	Journal of Computational Physics
Publisher:	Academic Press Inc. Elsevier Science
ISSN:	0021-9991
Official Date:	2013
Dates:	Date Event 2013 Published
Date of first compliant deposit:	24 December 2015
Volume:	Volume 238
Page Range:	pp. 97-105
DOI:	10.1016/j.jcp.2012.12.014
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Funder:	Engineering and Physical Sciences Research Council (EPSRC) , Science Research Investment Fund (SRIF), Madīnat al-Malik ʻAbd al-ʻAzīz lil-ʻUlūm wa-al-Tiqnīyah [King Abdulaziz City for Science and Technology] (KACST)

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