Exploring the effect of surfactants on the interaction between laccase and bisphenol A by molecular docking, molecular dynamics, and energy calculations
Yufei Li, Lin Chen, Ying Sun, Ruige Wang, Bing Zhao, Tao Jing
Topics & Concepts
Molecular dynamicsSolvationChemistryBisphenol APolyethylene glycolPEG ratioHydrophobic effectInteraction energyLaccaseDocking (animal)SolventOrganic chemistryComputational chemistryEnzymeMoleculeFinanceEconomicsMedicineNursingEpoxyEffects and risks of endocrine disrupting chemicalsEnzyme-mediated dye degradationProtein Interaction Studies and Fluorescence Analysis