Accelerated discovery of superoxide-dismutase nanozymes via high-throughput computational screening

A general predicting theory for superoxide-dismutase mimicking nanomaterials is currently lacking. The present manuscript reports a density functional theory study on the superoxides dismutase-like activity of nanomaterials based on their electronic band structures and surface adsorption energies.

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Autores principales: Zhenzhen Wang, Jiangjiexing Wu, Jia-Jia Zheng, Xiaomei Shen, Liang Yan, Hui Wei, Xingfa Gao, Yuliang Zhao
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/81124a44e3ab498faa9d9dc7ee3e3f09
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