“…Since computational simulations have been demonstrated to be a powerful support and supplement for experimental systems, in this work, dissipative particle dynamics (DPD) simulations, a mesoscopic stochastic coarse-grained method proposed by Hoogerbrugge and Koelman in 1992 34 suitable for complex multiphase systems, was employed to optimize the molecular structure of the polymers and the drug-loading proportion of the mixed micelles, [35][36][37][38] as well as to investigate the relationship between the mesoscopic structure and macroscopic properties of the drug-loaded mixed polymeric micelles. Then, the target polymers PEG-PDEAEMA, FA-PEG-PDEAEMA and PEG-SS-PCL were experimentally synthesized and characterized, and their mixed micelles were applied for doxorubicin (DOX) delivery.…”