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Elucidating the interaction mechanism of rutin with β-casein and β-lactoglobulin: A comprehensive analysis using multi-spectroscopy, molecular docking, and molecular dynamic simulations

Hailin Wang, Leiwen Xiang, Zhuangwei Zhang, Guoqiang Li, Peng Li, Wentao Chen, Fang Yu, Xinyan Lin, Shufen Lin

2025Food Chemistry29 citationsDOI

Topics & Concepts

RutinChemistryMechanism (biology)Molecular dynamicsDocking (animal)Computational chemistryCaseinComputational biologyChromatographyBiochemistryBiologyPhysicsAntioxidantQuantum mechanicsMedicineNursingProteins in Food SystemsPhytase and its ApplicationsFood composition and properties
Elucidating the interaction mechanism of rutin with β-casein and β-lactoglobulin: A comprehensive analysis using multi-spectroscopy, molecular docking, and molecular dynamic simulations | Litcius