Many cellular signalling and related events are triggered by the association of peripheral proteins with anionic lipids in the cell membrane (e.g. phosphatidylinositol phosphates or PIPs). This association frequently occurs via lipid-binding modules, e.g. pleckstrin homology (PH), C2 and four-point-one, ezrin, radixin, moesin (FERM) domains, present in peripheral and cytosolic proteins. Multiscale simulation approaches that combine coarse-grained and atomistic MD simulations may now be applied with confidence to investigate the molecular mechanisms of the association of peripheral proteins with model bilayers. Comparisons with experimental data indicate that such simulations can predict specific peripheral protein–lipid interactions. We discuss the application of multiscale MD simulation and related approaches to investigate the association of peripheral proteins which contain PH, C2 or FERM-binding modules with lipid bilayers of differing phospholipid composition, including bilayers containing multiple PIP molecules.
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Conference Article|
September 18 2014
Interactions of peripheral proteins with model membranes as viewed by molecular dynamics simulations
Antreas C. Kalli;
Antreas C. Kalli
1
*Department of Biochemistry, University of Oxford, South Parks Road, Oxford OX1 3QU, U.K.
1To whom correspondence should be addressed (emailantreas.kalli@bioch.ox.ac.uk).
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Mark S. P. Sansom
Mark S. P. Sansom
*Department of Biochemistry, University of Oxford, South Parks Road, Oxford OX1 3QU, U.K.
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Publisher: Portland Press Ltd
Received:
May 28 2014
Online ISSN: 1470-8752
Print ISSN: 0300-5127
© The Authors Journal compilation © 2014 Biochemical Society
2014
Biochem Soc Trans (2014) 42 (5): 1418–1424.
Article history
Received:
May 28 2014
Citation
Antreas C. Kalli, Mark S. P. Sansom; Interactions of peripheral proteins with model membranes as viewed by molecular dynamics simulations. Biochem Soc Trans 1 October 2014; 42 (5): 1418–1424. doi: https://doi.org/10.1042/BST20140144
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