Here we modeled NPs, ions, and water using the standard Martini force field . The NP model was already used and characterized in previous works ; its main features, as well as potential limitations, are recalled in the ESI. Figure shows how the competition between hydrophobic bonds and ion-bridged contacts depends on the anionic:hydrophobic (MUS:OT) ligand ratio. The Au NPs have a core size of 2 nm and are functionalized with three different MUS:OT ratios: 100% MUS (all MUS), 66% MUS (MUS:OT 2:1), 50% MUS (MUS:OT 1:1). Two minima characterize all profiles (Figure ), coherently with the dimerization PMF of the NPs described in Ref.