Journal article

Molecular simulations of glycolipids: Towards mammalian cell membrane models

Abstract:: Glycolipids are key components of mammalian cell membranes, influencing a diverse range of cellular functions. For example, a number of receptor tyrosine kinases, including the epidermal growth factor receptor (EGFR), are allosterically regulated by the glycolipid monosialodihexosylganglioside (GM3). Recent advances in molecular dynamics methods, especially the development of coarse-grained models, have enabled simulations of increasingly complex models of cell membranes. We demonstrate these methodological developments via a case study of a coarse-grained model for the ganglioside GM3. This glycolipid is included in simulations of a mixed lipid bilayer model reflecting the compositional complexity of a mammalian cell membrane. The resultant membrane model is used to simulate the interactions of GM3 with the transmembrane domain of the EGFR.

Publication status:: Published

Peer review status:: Peer reviewed

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APA Style

Shorthouse, D., Hedger, G., Koldsø, H., & Sansom, M. (2015). Molecular simulations of glycolipids: Towards mammalian cell membrane models. Biochimie, 120, 105–109.

MLA Style

Shorthouse, D., et al. “Molecular Simulations of Glycolipids: Towards Mammalian Cell Membrane Models.” Biochimie, vol. 120, Elsevier, 2015, pp. 105–09.

Chicago Style

Shorthouse, D, G Hedger, H Koldsø, and M Sansom. 2015. “Molecular Simulations of Glycolipids: Towards Mammalian Cell Membrane Models.” Biochimie 120: 105–9.
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Files:: Shorthouse-et-al-2015-Molecular-simulations-of-glycolipids.pdf

(Preview, Version of record, pdf, 1.4MB, Terms of use)

Publisher copy:: 10.1016/j.biochi.2015.09.033

Authors

+ Shorthouse, D More by this author

Institution:: University of Oxford
Division:: MSD
Department:: Biochemistry
Role:: Author

+ Hedger, G More by this author

Institution:: University of Oxford
Division:: MSD
Department:: Biochemistry
Role:: Author

+ Koldsø, H More by this author

Institution:: University of Oxford
Division:: MSD
Department:: Biochemistry
Role:: Author

+ Sansom, M More by this author

Institution:: University of Oxford
Division:: MSD
Department:: Biochemistry
Role:: Author

+ Wellcome Trust More from this funder

Grant:: WT092970

+ Medical Research Council More from this funder

Funding agency for:: Hedger, G

+ Alfred Benzon Foundation More from this funder

Funding agency for:: Koldsø, H

+ Department of Biochemistry, University of Oxford More from this funder

Funding agency for:: Hedger, G

+ Biotechnology and Biological Sciences Research Council More from this funder

Funding agency for:: Shorthouse, D

Publisher:: Elsevier
Journal:: Biochimie More from this journal
Volume:: 120
Pages:: 105-109
Publication date:: 2015-09-30
DOI:: 10.1016/j.biochi.2015.09.033
ISSN:: 0300-9084

Keywords:: molecular dynamics

glycolipids

coarse-grained

membranes
Pubs id:: pubs:571492
UUID:: uuid:870e9bf0-f812-41f8-b155-1cf079243fa8
Local pid:: pubs:571492
Source identifiers:: 571492
Deposit date:: 2015-10-28

Terms of use

Copyright holder:: Shorthouse et al
Copyright date:: 2015
Notes:: Copyright © 2015 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

Licence:: CC Attribution (CC BY)

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