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 , apigenin , hydrogen bond , docking (animal) , eriodictyol , sasa , molecular dynamics , polyphenol , hydrophobic effect , computational chemistry , flavanone , stereochemistry , antioxidant , biochemistry , organic chemistry , molecule , flavonoid , medicine , paleontology , nursing , biology