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Data for molecular dynamics simulations of B-type cytochrome c oxidase with the Amber force field

Cytochrome c oxidase (CcO) is a vital enzyme that catalyzes the reduction of molecular oxygen to water and pumps protons across mitochondrial and bacterial membranes. This article presents parameters for the cofactors of ba(3)-type CcO that are compatible with the all-atom Amber ff12SB and ff14SB fo...

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Detalles Bibliográficos
Autores principales:	Yang, Longhua, Skjevik, Åge A., Han Du, Wen-Ge, Noodleman, Louis, Walker, Ross C., Götz, Andreas W.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2016
Materias:	Data Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4979044/ https://www.ncbi.nlm.nih.gov/pubmed/27547799 http://dx.doi.org/10.1016/j.dib.2016.07.043

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