First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO(2) to/from the C-Cluster

[Image: see text] In view of the depletion of fossil fuel reserves and climatic effects of greenhouse gas emissions, Ni,Fe-containing carbon monoxide dehydrogenase (Ni-CODH) enzymes have attracted increasing interest in recent years for their capability to selectively catalyze the reversible reducti...

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Detalles Bibliográficos
Autores principales: Breglia, Raffaella, Arrigoni, Federica, Sensi, Matteo, Greco, Claudio, Fantucci, Piercarlo, De Gioia, Luca, Bruschi, Maurizio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7872322/
https://www.ncbi.nlm.nih.gov/pubmed/33321036
http://dx.doi.org/10.1021/acs.inorgchem.0c03034

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