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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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| Veröffentlicht in: | Data Brief |
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| Hauptverfasser: | , , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Elsevier
2016
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4979044/ https://ncbi.nlm.nih.gov/pubmed/27547799 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2016.07.043 |
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