Coarse-grained MD simulations of membrane protein-bilayer self-assembly


Scott, Kathryn A., Bond, Peter J., Ivetac, Anthony, Chetwynd, Alan P., Khalid, Syma and Sansom, Mark S.P. (2008) Coarse-grained MD simulations of membrane protein-bilayer self-assembly. Structure, 16, (4), 621-630. (doi:10.1016/j.str.2008.01.014).

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Description/Abstract

Complete determination of a membrane protein structure requires knowledge of the protein position within the lipid bilayer. As the number of determined structures of membrane proteins increases so does the need for computational methods which predict their position in the lipid bilayer. Here we present a coarse-grained molecular dynamics approach to lipid bilayer self-assembly around membrane proteins. We demonstrate that this method can be used to predict accurately the protein position in the bilayer for membrane proteins with a range of different sizes and architectures.

Item Type: Article
ISSNs: 0969-2126 (print)
1878-4186 (electronic)
Keywords: proteins
Subjects: Q Science > QD Chemistry
Divisions: University Structure - Pre August 2011 > Institute of Sound and Vibration Research > Fluid Dynamics and Acoustics
Faculty of Natural and Environmental Sciences > Chemistry
ePrint ID: 149539
Date Deposited: 30 Apr 2010 13:43
Last Modified: 27 Mar 2014 19:09
URI: http://eprints.soton.ac.uk/id/eprint/149539

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