Cavity hydration dynamics in cytochrome <i>c</i> oxidase and functional implications.

Son, Chang Yun; Yethiraj, Arun; Cui, Qiang

Cavity hydration dynamics in cytochrome c oxidase and functional implications.

Son, Chang Yun; Yethiraj, Arun; Cui, Qiang.

Affiliation

Son CY; Department of Chemistry, University of Wisconsin, Madison, WI 53706.
Yethiraj A; Theoretical Chemistry Institute, University of Wisconsin, Madison, WI 53706.
Cui Q; Department of Chemistry, University of Wisconsin, Madison, WI 53706.

Proc Natl Acad Sci U S A ; 114(42): E8830-E8836, 2017 10 17.

Article in En | MEDLINE | ID: mdl-28973914

Subject(s)

Electron Transport Complex IV/chemistry; Electron Transport Complex IV/metabolism; Models, Molecular; Glutamic Acid/chemistry; Heme/analogs & derivatives; Heme/chemistry; Molecular Dynamics Simulation; Oxidation-Reduction; Propionates/chemistry; Protons; Rhodobacter sphaeroides/enzymology; Static Electricity; Thermodynamics; Water/chemistry

Key words

Markov-state models; metadynamics; proton pumping; wetting transition

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Models, Molecular / Electron Transport Complex IV Type of study: Prognostic_studies Language: En Journal: Proc Natl Acad Sci U S A Year: 2017 Type: Article

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