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Theoretical study of phenol and 2-aminophenol docking at a model of the tyrosinase active site

✍ Scribed by Piquemal, Jean-Philip; Maddaluno, Jacques; Silvi, Bernard; Giessner-Prettre, Claude

Book ID: 120171579
Publisher: Royal Society of Chemistry
Year: 2003
Tongue: English
Weight: 640 KB
Volume: 27
Category: Article
ISSN: 1144-0546
DOI: 10.1039/B210307A

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## Abstract Theoretical studies on the chemo‐ and regioselective __ortho__‐oxidation reaction of phenols mediated by a biomimetic (__μ–η__^2^:__η__^2^peroxo)dicopper(II) complex were performed using unrestricted hybrid density functional theory (UB3LYP) calculations, with the aim of providing a gui