Computational biotransformation of polyethylene terephthalate by depolymerase: A QM/MM approach
Mingna Zheng, Yanwei Li, Weiliang Dong, Shanshan Feng, Qingzhu Zhang, Wenxing Wang
Topics & Concepts
BiotransformationPolyethylene terephthalateDihedral angleCatalysisCutinaseChemistryFluid catalytic crackingMolecular dynamicsComputational chemistryQM/MMCatalytic cycleEnzymeStereochemistryHydrogen bondMaterials scienceOrganic chemistryMoleculeComposite materialMicroplastics and Plastic Pollutionbiodegradable polymer synthesis and propertiesEffects and risks of endocrine disrupting chemicals