Computational Investigation of the Interplay of Substrate Positioning and Reactivity in Catechol O-Methyltransferase

Catechol O-methyltransferase (COMT) is a SAM- and Mg(2+)-dependent methyltransferase that regulates neurotransmitters through methylation. Simulations and experiments have identified divergent catecholamine substrate orientations in the COMT active site: molecular dynamics simulations have favored a...

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Bibliografische gegevens
Gepubliceerd in:PLoS One
Hoofdauteurs: Patra, Niladri, Ioannidis, Efthymios I., Kulik, Heather J.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: Public Library of Science 2016
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Research Article
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5001633/
https://ncbi.nlm.nih.gov/pubmed/27564542
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0161868
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