QM/MM study of the binding of H(2) to MoCu CO dehydrogenase: development and applications of improved H(2) van der Waals parameters

The MoCu CO dehydrogenase enzyme not only transforms CO into CO(2) but it can also oxidise H(2). Even if its hydrogenase activity has been known for decades, a debate is ongoing on the most plausible mode for the binding of H(2) to the enzyme active site and the hydrogen oxidation mechanism. In the...

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Detalles Bibliográficos
Autores principales: Rovaletti, Anna, Greco, Claudio, Ryde, Ulf
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2021
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7862525/
https://www.ncbi.nlm.nih.gov/pubmed/33538901
http://dx.doi.org/10.1007/s00894-020-04655-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7862525/
https://www.ncbi.nlm.nih.gov/pubmed/33538901
http://dx.doi.org/10.1007/s00894-020-04655-3

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