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QM/MM Molecular Dynamics Simulations Revealed Catalytic Mechanism of Urease

[Image: see text] Urease catalyzes the hydrolysis of urea to form ammonia and carbamate, inducing an overall pH increase that affects both human health and agriculture. Inhibition, mutagenesis, and kinetic studies have provided insights into its enzymatic role, but there have been debates on the sub...

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Detalles Bibliográficos
Autores principales: Saito, Toru, Takano, Yu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8935366/
https://www.ncbi.nlm.nih.gov/pubmed/35238572
http://dx.doi.org/10.1021/acs.jpcb.1c10200