Analysis of polymer-drug interactions showed CUR effectively (physically and intermolecularly) crosslink chains via H-bonds between its phenolic hydroxyl groups and polymer carbonyl oxygens, corroborating previous NMR experiments. In line with differences in drug distributions across micelles, H-bonds between CUR and B blocks were most commonly found for the case of A-pPrOzi-A, though lifetimes of such interactions were higher for pBuOx. This agrees with previous fluorescence studies, hinting at stronger interactions of CUR with the latter and could result from different sidechain conformations of pPrOzi compared to pBuOx. Admittedly, we must acknowledge the fact that the investigated systems were loosely pre-assembled based on experimentally derived structural models from previous studies, suggesting spherical micelles with A blocks positioned in the outer and B blocks in the inner core. The amount of polymers constituting a micelle was not known a priori, but this could certainly impact multiple aspects of the resulting structures, e.g. thickness of the corona. While longer time scales (via future coarsegraining approaches) might help characterizing overall micelle structures, this study focused on and provides significant data for detailed analysis of local polymer-drug interactions. Important to note, such interaction patterns, involving H-bonds, are only accessible via all-atom simulations. We will now investigate systems involving e.g. different A and B blocks or therapeutically valuable drugs, such as paclitaxel with a higher LC for A-pBuOx-A. Cheminformatics-driven prediction models have already helped in a priori designing optimized pOx/pOzi-based formulations. With additional simulations we