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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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Detalles Bibliográficos
Autores principales:	Ion, Bogdan F., Bushnell, Eric A. C., De Luna, Phil, Gauld, James W.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Molecular Diversity Preservation International (MDPI) 2012
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3497308/ https://www.ncbi.nlm.nih.gov/pubmed/23202934 http://dx.doi.org/10.3390/ijms131012994

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