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A Molecular Dynamics (MD) and Quantum Mechanics/Molecular Mechanics (QM/MM) Study on Ornithine Cyclodeaminase (OCD): A Tale of Two Iminiums

Ornithine cyclodeaminase (OCD) is an NAD(+)-dependent deaminase that is found in bacterial species such as Pseudomonas putida. Importantly, it catalyzes the direct conversion of the amino acid L-ornithine to L-proline. Using molecular dynamics (MD) and a hybrid quantum mechanics/molecular mechanics...

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Detalhes bibliográficos
Principais autores: Ion, Bogdan F., Bushnell, Eric A. C., De Luna, Phil, Gauld, James W.
Formato: Artigo
Idioma:Inglês
Publicado em: Molecular Diversity Preservation International (MDPI) 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3497308/
https://ncbi.nlm.nih.gov/pubmed/23202934
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms131012994
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