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Molecular dynamics simulation of the M2 helices within the nicotinic acetylcholine receptor transmembrane domain: structure and collective motions

Abstract:

Multiple nanosecond duration molecular dynamics (MD) simulations were performed on the transmembrane region of the Torpedo nicotinic acetylcholine receptor (nAChR) embedded within a bilayer mimetic octane slab. The M2 helices and M2-M3 loop regions were free to move whilst the outer (M1, M3, M4) helix bundle was backbone restrained. The M2 helices largely retain their hydrogen-bonding pattern throughout the simulation, with some distortions in the helical-end and loop regions. All of ...

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Hung, Andrew
Sansom, Mark S. P.
Tai, Kaihsu
Publisher:
Biophysical Society
Journal:
Biophysical Journal
Issue:
88
Publication date:
2005-01-01
Source identifiers:
http://sers009b.sers.ox.ac.uk/archive/00001012/
Subjects:
UUID:
uuid:b0bec0f7-182f-4a76-8b78-d0d9e9bbad3b
Local pid:
ora:697
Deposit date:
2012-11-15

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