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Computational design of an amidase by combining the best electrostatic features of two promiscuous hydrolases

While there has been emerging interest in designing new enzymes to solve practical challenges, computer-based options to redesign catalytically active proteins are rather limited. Here, a rational QM/MM molecular dynamics strategy based on combining the best electrostatic properties of enzymes with...

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Detalles Bibliográficos
Autores principales:	Galmés, Miquel À., Nödling, Alexander R., He, Kaining, Luk, Louis Y. P., Świderek, Katarzyna, Moliner, Vicent
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9067594/ https://www.ncbi.nlm.nih.gov/pubmed/35655887 http://dx.doi.org/10.1039/d2sc00778a

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