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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Detalles Bibliográficos
Autores principales: McKiernan, Keri A., Koster, Anna K., Maduke, Merritt, Pande, Vijay S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7145265/
https://www.ncbi.nlm.nih.gov/pubmed/32226009
http://dx.doi.org/10.1371/journal.pcbi.1007530

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