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Dynamical model of the CLC-2 ion channel reveals conformational changes associated with selectivity-filter gating.

This work reports a dynamical Markov state model of CLC-2 "fast" (pore) gating, based on 600 microseconds of molecular dynamics (MD) simulation. In the starting conformation of our CLC-2 model, both outer and inner channel gates are closed. The first conformational change in our dataset involves rot...

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Príomhchruthaitheoirí: Keri A McKiernan, Anna K Koster, Merritt Maduke, Vijay S Pande
Formáid: Artigo
Teanga:Inglês
Foilsithe / Cruthaithe: Public Library of Science (PLoS) 2020-03-01
Sraith:PLoS Computational Biology
Rochtain ar líne:https://doi.org/10.1371/journal.pcbi.1007530
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