Similar to a previous simulation study involving polymer micelles, parameterization was performed on the basis of a modular building block approach. Small trimers with the desired repeat units were first built in Avogadro 1.2.0. For each oligomer, four energy minimized conformations were generated via openBabel 3.0.0 using the GAFF force field and subsequently uploaded to the PyRED server in order to perform a multi-conformational RESP fitting, using Gaussian16 C.01 with the Hartree-Fock/6-31-G* level of theory for charge derivation. Hereby, each monomer defined a single residue and was constrained to have a net charge of zero. Using this approach, atom types and bonded parameters were adapted from the Amberff14SB force field set, similar to a previous modeling study involving pEtOx. The termini N-Boc-piperazine (PipBoc) and piperidine (Pid) were modeled in their protonated states and capped with corresponding MeOx/EtOx monomers. The loaded drug CUR was modeled in the keto-enol tautomer form, as previous studies suggested this to be the major form present within these micelles. Charges were derived analogously via PyRED using Gaussian16 C.01 (HF/6-31-G*), and atom types and bonded parameters were subsequently adapted from the GAFF2 force field using antechamber via acpype 2022.6.6.