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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
Version:
Publisher version

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Publisher copy:
10.1021/jacs.6b05602

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Institution:
University of Oxford
Department:
Oxford, MSD, Biochemistry
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Institution:
University of Oxford
Department:
Oxford, MSD, Biochemistry
Limongelli, V More by this author
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Funding agency for:
Sansom, MSP
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Funding agency for:
Limongelli, V
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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
DOI:
EISSN:
1520-5126
ISSN:
0002-7863
Local pid:
info:fedora/pubs:635434

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