Deciphering the non-covalent binding patterns of three whey proteins with rosmarinic acid by multi-spectroscopic, molecular docking and molecular dynamics simulation approaches
Yingcong Lu, Ru Zhao, Ce Wang, Xiaoge Zhang, Cuina Wang
Topics & Concepts
ChemistryHydrogen bondMolecular dynamicsRosmarinic acidHydrophobic effectBinding constantMolecular bindingDocking (animal)Quenching (fluorescence)Protein secondary structureEquilibrium constantWhey proteinCrystallographyBinding siteMoleculeFluorescenceComputational chemistryPhysical chemistryOrganic chemistryBiochemistryAntioxidantPhysicsNursingMedicineQuantum mechanicsProtein Interaction Studies and Fluorescence AnalysisProteins in Food SystemsSurfactants and Colloidal Systems