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Hydrogen Bonds and n → π* Interactions in the Acetylation of Propranolol Catalyzed by Candida antarctica Lipase B: A QTAIM Study

[Image: see text] Enzyme–substrate interactions play a crucial role in enzymatic catalysis. Quantum theory of atoms in molecules (QTAIM) calculations are extremely useful in computational studies of these interactions because they provide very detailed information about the strengths and types of mo...

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Detalles Bibliográficos
Autores principales:	Rincón, David A., Doerr, Markus, Daza, Martha C.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8375099/ https://www.ncbi.nlm.nih.gov/pubmed/34423207 http://dx.doi.org/10.1021/acsomega.1c02559

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