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Coarse-grained simulation of transmembrane peptides in the gel phase
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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 ISSN 0021-9991.
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WRAP_Allen_jcomphys_paper.pdf - Accepted Version Download (2535Kb) | Preview |
Official URL: http://dx.doi.org/10.1016/j.jcp.2012.12.014
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 | ||||
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| Subjects: | Q Science > QA Mathematics Q Science > QH Natural history > QH301 Biology |
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| Divisions: | Faculty of Science, Engineering and Medicine > Research Centres > Molecular Organisation and Assembly in Cells (MOAC) Faculty of Science, Engineering and Medicine > Science > Physics |
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| 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: |
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| 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 | ||||
| Date of first compliant deposit: | 24 December 2015 | ||||
| Date of first compliant Open Access: | 24 December 2015 | ||||
| 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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