In this study, all-atom molecular dynamics simulations of nanoformulations of three exemplary ABAtriblock pOx/pOzi-based amphiphilic micelles at two different drug loadings were conducted on microsecond time scales, in order to dissect for the first time the underlying polymer-drug interactions and dynamics on a molecular level. For the case of A*-pPrOzi-A*, featuring EtOx hydrophilic repeat units, and especially A-pBuOx-A with lower experimental LC, the A blocks showed a greater extent of entanglement with B blocks, which might impact solubilization and colloidal stability of such a DDS. In agreement with previous experimental studies, A-pPrOzi-A showed higher hydration of the shell in comparison to the case for A*-pPrOzi-A* with the more hydrophobic pEtOx corona; it also contained more drugs within the core than the other structures. At higher [10/6] loadings, more drugs could be found on the micelle surface, which corroborates earlier experimental findings and is expected to reduce hydrophilicity of the corona, ultimately leading to micelle aggregation, as observed experimentally for A*-pPrOzi-A* and A-pBuOx-A systems at this loading (exceeding maximum LC).