Evaluating the Performance of a Non-Bonded Cu<sup>2+</sup> Model Including Jahn−Teller Effect into the Binding of Tyrosinase Inhibitors

Evaluating the Performance of a Non-Bonded Cu<sup>2+</sup> Model Including Jahn−Teller Effect into the Binding of Tyrosinase Inhibitors

Tyrosinase (TYR) is a metalloenzyme classified as a type-3 copper protein, which is involved in the synthesis of melanin through a catalytic process beginning with the conversion of the amino acid <span style="font-variant: small-caps;">l</span>-Tyrosine (<span style="f...

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Bibliographic Details
Main Authors: Lucas Sousa Martins, Jerônimo Lameira, Hendrik G. Kruger, Cláudio Nahum Alves, José Rogério A. Silva
Format: Article
Language:English
Published: MDPI AG 2020-07-01
Series:International Journal of Molecular Sciences
Subjects:
tyrosinase
inhibition
kojic acid
Jahn-Teller effect
binding free energy
computational chemistry
Online Access:https://www.mdpi.com/1422-0067/21/13/4783

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