Open AccessInsights into the Interaction between Polyphenols and β-Lactoglobulin through Molecular Docking, MD Simulation, and QM/MM Approaches
Author(s) -
Indrani Baruah,
Chayanika Kashyap,
Ankur K. Guha,
Gargi Borgohain
Publication year - 2022
Publication title -
acs omega
Language(s) - English
Resource type - Journals
ISSN - 2470-1343
DOI - 10.1021/acsomega.2c00336
Subject(s) - chemistry , luteolin , van der waals force , hydrogen bond , apigenin , docking (animal) , molecular dynamics , sasa , eriodictyol , computational chemistry , polyphenol , hydrophobic effect , flavanone , stereochemistry , antioxidant , organic chemistry , molecule , flavonoid , medicine , paleontology , nursing , biology
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