Dynamic Docking-Assisted Engineering of Hydrolases for Efficient PET Depolymerization - Zheng, Yi; Li, Qingbin; Liu, Pan; Yuan, Yingbo; Dian, Longyang; Wang, Qian; Liang, Quanfeng; Su, Tianyuan; Qi, Qingsheng (ACS catalysis, 2024)
Keywords: specific ligand interaction; poly(ethylene terephthalate) (PET); molecular docking; biodepolymerization; affinity energy; molecular dynamics simulation