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

Coarse-grained MD simulations of membrane protein-bilayer self-assembly
Coarse-grained MD simulations of membrane protein-bilayer self-assembly
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.
proteins
0969-2126
621-630
Scott, Kathryn A.
ec007017-fabb-427e-bab9-152c21907c7f
Bond, Peter J.
08f46940-85e8-44c4-a368-d94342a10fd6
Ivetac, Anthony
9e51e2d2-3f5b-40c1-87a5-b5a11aecbdc4
Chetwynd, Alan P.
bd428159-6075-46f0-8ea2-417566899007
Khalid, Syma
90fbd954-7248-4f47-9525-4d6af9636394
Sansom, Mark S.P.
ed30b4fc-bc73-4ad7-8c56-f51a67136e4e
Scott, Kathryn A.
ec007017-fabb-427e-bab9-152c21907c7f
Bond, Peter J.
08f46940-85e8-44c4-a368-d94342a10fd6
Ivetac, Anthony
9e51e2d2-3f5b-40c1-87a5-b5a11aecbdc4
Chetwynd, Alan P.
bd428159-6075-46f0-8ea2-417566899007
Khalid, Syma
90fbd954-7248-4f47-9525-4d6af9636394
Sansom, Mark S.P.
ed30b4fc-bc73-4ad7-8c56-f51a67136e4e

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).

Record type: Article

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.

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More information

Published date: 8 April 2008
Keywords: proteins
Organisations: Chemistry, Fluid Dynamics & Acoustics Group

Identifiers

Local EPrints ID: 149539
URI: https://eprints.soton.ac.uk/id/eprint/149539
ISSN: 0969-2126
PURE UUID: 60a8ffd6-762a-4efc-9eba-afa808d67366
ORCID for Syma Khalid: ORCID iD orcid.org/0000-0002-3694-5044

Catalogue record

Date deposited: 30 Apr 2010 13:43
Last modified: 14 Jul 2018 00:32

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