Biodegradation of anionic polyacrylamide by manganese peroxidase: docking, virtual mutation based on affinity, QM/MM calculation and molecular dynamics simulation
Fanglue Wang, Dongchen Zhang, Liwen Zhang, Xuefeng Wu, Shengsong Deng, Xinyu Yuan
Topics & Concepts
PolyacrylamideIndustrial and production engineeringChemistryPeroxidaseManganeseManganese peroxidaseResidue (chemistry)Hydrogen bondPolymer chemistryEnzymeOrganic chemistryMoleculeEngineeringElectrical engineeringNanoparticles: synthesis and applicationsPharmaceutical and Antibiotic Environmental ImpactsPer- and polyfluoroalkyl substances research