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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...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Rinaldo, David, Philipp, Dean M., Lippard, Stephen J., Friesner, Richard A.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2007
Schlagworte:
Online Zugang: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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