Since the exposure to the solvent has been proven to play an important role in the relative stabilities of the clusters, we have decided to only consider dielectrics of ε = 78 to perform all future calculations. This decision was taken considering that Aβ-Zn(II) systems do not contain buried coordination shells, but rather solventexposed ones and therefore, the most accurate environment conditions are reproduced with the ε = 78 dielectric.