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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5001633/ https://www.ncbi.nlm.nih.gov/pubmed/27564542 http://dx.doi.org/10.1371/journal.pone.0161868 |