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Insights into the Interaction between Polyphenols and β-Lactoglobulin through Molecular Docking, MD Simulation, and QM/MM Approaches

[Image: see text] In this work, we have explored the interaction of three different polyphenols with the food protein β-lactoglobulin. Antioxidant activities of polyphenols are influenced by complexation with the protein. However, studies have shown that polyphenols after complexation with the prote...

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Detalles Bibliográficos
Autores principales: Baruah, Indrani, Kashyap, Chayanika, Guha, Ankur K., Borgohain, Gargi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9280950/
https://www.ncbi.nlm.nih.gov/pubmed/35847254
http://dx.doi.org/10.1021/acsomega.2c00336