Feasible Cluster Model Method for Simulating the Redox Potentials of Laccase CueO and Its Variant

Feasible Cluster Model Method for Simulating the Redox Potentials of Laccase CueO and Its Variant

Laccases are regarded as versatile green biocatalysts, and recent scientific research has focused on improving their redox potential for broader industrial and environmental applications. The density functional theory (DFT) quantum mechanics approach, sufficiently rigorous and efficient for the calc...

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Bibliographic Details
Main Authors: Qixuan Jiang, Ziheng Cui, Ren Wei, Kaili Nie, Haijun Xu, Luo Liu
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-07-01
Series:Frontiers in Bioengineering and Biotechnology
Subjects:
cluster model
redox potential
quantum mechanics
laccase
molecular simulation
Online Access:https://www.frontiersin.org/articles/10.3389/fbioe.2022.957694/full

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