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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.

Original publication

DOI

10.1016/j.str.2008.01.014

Type

Journal article

Journal

Structure

Publication Date

04/2008

Volume

16

Pages

621 - 630

Keywords

1,2-Dipalmitoylphosphatidylcholine, Amino Acids, Computer Simulation, Lipid Bilayers, Membrane Proteins, Models, Molecular