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Using Machine Learning and Molecular Docking to Leverage Urease Inhibition Data for Virtual Screening

Urease is a metalloenzyme that catalyzes the hydrolysis of urea, and its modulation has an important role in both the agricultural and medical industry. Even though numerous molecules have been tested against ureases of different species, their clinical translation has been limited due to chemical a...

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Detalles Bibliográficos
Autores principales:	Aniceto, Natália, Albuquerque, Tânia S., Bonifácio, Vasco D. B., Guedes, Rita C., Martinho, Nuno
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10179503/ https://www.ncbi.nlm.nih.gov/pubmed/37175889 http://dx.doi.org/10.3390/ijms24098180

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