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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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Journal:
Biophysical Journal
Publication date:
2005-01-01
Local pid:
ora:697

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