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Conformational changes in the epidermal growth factor receptor: role of the transmembrane domain investigated by Coarse-Grained metadynamics free energy calculations

Abstract:

The epidermal growth factor receptor (EGFR) is a dimeric membrane protein which regulates key aspects of cellular function. Activation of the EGFR is linked to changes in the conformation of the transmembrane (TM) domain, brought about by changes in interactions of the TM helices of the membrane lipid bilayer. Using an advanced computational approach that combines coarse-grained molecular dynamics and well-tempered metadynamics, we characterize the large-scale motions of the TM helices, simul...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1021/jacs.6b05602

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Institution:
University of Oxford
Division:
MSD
Department:
Biochemistry
Role:
Author
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Institution:
University of Oxford
Division:
MSD
Department:
Biochemistry
Role:
Author
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Funding agency for:
Sansom, M
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Funding agency for:
Limongelli, V
Grant:
CA15135
More from this funder
Funding agency for:
Limongelli, V
Grant:
CA15135
More from this funder
Funding agency for:
Limongelli, V
Grant:
CA15135
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Publisher:
American Chemical Society Publisher's website
Journal:
Journal of the American Chemical Society Journal website
Volume:
138
Issue:
33
Pages:
10611–10622
Publication date:
2016-07-26
Acceptance date:
2016-07-26
DOI:
EISSN:
1520-5126
ISSN:
0002-7863
Source identifiers:
635434
Keywords:
Pubs id:
pubs:635434
UUID:
uuid:cad40927-cdb0-47ed-9e35-438618a6934d
Local pid:
info:fedora/pubs:635434
Deposit date:
2016-07-27

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