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Computational Prediction of ω-Transaminase Specificity by a Combination of Docking and Molecular Dynamics Simulations

[Image: see text] ω-Transaminases (ω-TAs) catalyze the conversion of ketones to chiral amines, often with high enantioselectivity and specificity, which makes them attractive for industrial production of chiral amines. Tailoring ω-TAs to accept non-natural substrates is necessary because of their li...

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Detalles Bibliográficos
Autores principales:	Ramírez-Palacios, Carlos, Wijma, Hein J., Thallmair, Sebastian, Marrink, Siewert J., Janssen, Dick B.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8611723/ https://www.ncbi.nlm.nih.gov/pubmed/34653331 http://dx.doi.org/10.1021/acs.jcim.1c00617

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