Coarse-Grained MD Simulations of Membrane Protein-Bilayer Self-Assembly

by: Kathryn A Scott, Peter J Bond, Anthony Ivetac, Alan P Chetwynd, Syma Khalid, Mark S Sansom

Structure, Vol. 16, No. 4. (8 April 2008), pp. 621-630.

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Abstract

Summary 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.

@article{citeulike:2649220, abstract = {Summary 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.}, author = {Scott, Kathryn A. and Bond, Peter J. and Ivetac, Anthony and Chetwynd, Alan P. and Khalid, Syma and Sansom, Mark S. }, citeulike-article-id = {2649220}, doi = {http://dx.doi.org/10.1016/j.str.2008.01.014}, journal = {Structure}, keywords = {biomembranes, ion\_channels, multiscale}, month = {April}, number = {4}, pages = {621--630}, posted-at = {2008-05-14 12:02:45}, priority = {0}, title = {Coarse-Grained MD Simulations of Membrane Protein-Bilayer Self-Assembly}, url = {http://dx.doi.org/10.1016/j.str.2008.01.014}, volume = {16}, year = {2008} }

RIS record

TY - JOUR ID - citeulike:2649220 L3 - citeulike-article-id:2649220 N2 - Summary 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. IS - 4 JF - Structure EP - 630 TI - Coarse-Grained MD Simulations of Membrane Protein-Bilayer Self-Assembly VL - 16 SP - 621 KW - biomembranes KW - ion_channels KW - multiscale AU - Scott, Kathryn AU - Bond, Peter AU - Ivetac, Anthony AU - Chetwynd, Alan AU - Khalid, Syma AU - Sansom, Mark PY - 2008/04/08/ UR - http://dx.doi.org/10.1016/j.str.2008.01.014 ER -

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