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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Detaylı Bibliyografya
Yayımlandı:PLoS One
Asıl Yazarlar: Patra, Niladri, Ioannidis, Efthymios I., Kulik, Heather J.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: Public Library of Science 2016
Konular:
Research Article
Online Erişim: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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