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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Berlin Heidelberg
2021
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| Materias: | |
| 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 |