Conformational dynamics of the nicotinic acetylcholine receptor channel: A 35-ns molecular dynamics simulation study

XU, Y.; BARRANTES, F.J.; LUO, X.; CHEN, K.; SHEN, J.; JIANG, H.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

AMER CHEMICAL SOC

Lugar: Washington; Año: 2005 vol. 127 p. 1291 - 1299

0002-7863

A 35-ns molecular dynamics simulation has been performed to explore the conformational dynamics of the entire membrane-spanning region, including the ion channel pore of the AChR. A closed-to-open conformationl shift was found to occur in one of the channel ring positions in the time scale of the present simulations, the possible physiological significance of which is disccussed.