An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations.

Vargas E, Yarov-Yarovoy V, Khalili-Araghi F, Catterall WA, Klein ML, Tarek M, Lindahl E, Schulten K, Perozo E, Bezanilla F, Roux B

J. Gen. Physiol. 140 (6) 587-594 [2012-12-00; online 2012-11-28]

Developing an understanding of the mechanism of voltage-gated ion channels in molecular terms requires knowledge of the structure of the active and resting conformations. Although the active-state conformation is known from x-ray structures, an atomic resolution structure of a voltage-dependent ion channel in the resting state is not currently available. This has motivated various efforts at using computational modeling methods and molecular dynamics (MD) simulations to provide the missing information. A comparison of recent computational results reveals an emerging consensus on voltage-dependent gating from computational modeling and MD simulations. This progress is highlighted in the broad context of preexisting work about voltage-gated channels.

Affiliated researcher

PubMed 23183694

DOI 10.1085/jgp.201210873

Crossref 10.1085/jgp.201210873

pii: jgp.201210873
pmc: PMC3514734


Publications 7.1.2