The contribution of the self-diffusion coefficient for DTXL and its conjugates within the polymer matrix is difficult to accurately describe at this level of representation. In fact, coarse graining makes the energy landscape smoother speeding up the kinetics of the system. However, with MARTINI 2 the speed up factor in the diffusional dynamics of different compounds is difficult to predict. Considering that the diffusive dynamics depend on the mass of the compounds, MARTINI 3 is expected to be more accurate as it uses smaller beads. Higher accuracies could be obtained at allatom resolution, at the cost of computational time. Moreover, drug-drug interactions have been neglected and these could affect the diffusive dynamics of compounds when aggregates are formed.