for the case of pPrOzi. Thus, g3 analysis combined with subsequent angle analyses on larger systems suggests that the BuOx repeat units are affected by CUR loading with regard to their sidechain orientations, whereas PrOzi repeat units, bearing an additional methylene group within the backbone not directly bound to any tertiary amide, retain the same percentage of trans arrangements of alkyl sidechains near the hydrophobic cargo. This could possibly be a deciding factor for the previously experimentally determined overall preference of pOzi over pOx monomers for CUR loading. 10 Smaller model systems are often built as a stand-in for investigations of much larger polymeric structures, including pseudo-micelles with shorter / fewer polymers and drugs. To our knowledge, this is the first time that additional sampling data on the individual hydrophobic and hydrophilic micelle compartments based on specific conditions obtained from initial all-atom simulations of larger structures with full-length polymers has been gathered. While we present here only a very preliminary look into this, we believe this method could prove useful for other DDS modeling studies as well, especially when applying resource-intensive machine learning approaches such as the g3 analysis described above.