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Modelling packing interactions in parallel helix bundles: pentameric bundles of nicotinic receptor M2 helices

Abstract:

The transbilayer pore of the nicotinic acetylcholine receptor (nAChR) is formed by a pentameric bundle of M2 helices. Models of pentameric bundles of M2 helices have been generated using simulated annealing via restrained molecular dynamics. The influence of: (a) the initial C α template; and (b) screening of sidechain electrostatic interactions on the geometry of the resultant M2 helix bundles is explored. Parallel M2 helices, in the absence of sidechain electrostatic interactions, pack i...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's version

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Publisher copy:
10.1016/0005-2736(95)00165-Y

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Institution:
University of Oxford
Department:
Medical Sciences Division - Biochemistry
Role:
Author
Wellcome Trust More from this funder
Publisher:
Elsevier Science B.V.
Journal:
Biochimica et Biophysica Acta (BBA) - Biomembranes Journal website
Volume:
1239
Issue:
2
Pages:
122–132
Publication date:
1995-11-05
DOI:
ISSN:
0006-291X
URN:
uuid:e9b80e25-3f0e-4c54-a787-3fc16da85bab
Local pid:
ora:8091

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