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Constrained geometric simulation of the nicotinic acetylcholine receptor

Lookup NU author(s): Dr Daniel ColeORCiD

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Abstract

Constrained geometric simulations have been performed for the recently published closed-channel state of the nicotinic acetylcholine receptor. These simulations support the theory that correlated motion in the flexible β-sheet structure of the extracellular domain helps to communicate a “conformational wave”, spreading from the acetylcholine binding pocket. Furthermore, we have identified key residues that act at the interface between subunits and between domains that could potentially facilitate rapid communication between the binding site and the transmembrane gate.

Publication metadata

Author(s): Belfield WJ, Cole DJ, Martin IL, Payne MC, Chau P-L

Publication type: Article

Publication status: Published

Journal: Journal of Molecular Graphics and Modelling

Year: 2014

Volume: 52

Pages: 1-10

Online publication date: 06/06/2014

Acceptance date: 02/05/2014

ISSN (print): 10933263

ISSN (electronic): 18734243

Publisher: Elsevier Inc.

URL: http://dx.doi.org/10.1016/j.jmgm.2014.05.001

DOI: 10.1016/j.jmgm.2014.05.001

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