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Intermediates in dioxygen activation by methane monooxygenase: A QM/MM study
Protein effects in the activation of dioxygen by methane monooxygenase (MMO) were investigated by using combined QM/MM and broken-symmetry Density Functional Theory (DFT) methods. The effects of a novel empirical scheme recently developed by our group on the relative DFT energies of the various inte...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2007
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2517126/ https://ncbi.nlm.nih.gov/pubmed/17326634 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja0654074 |
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