Each NP is constituted by an Au core, whose atoms are represented as Lennard-Jones spheres arranged in spherical FCC lattices (see Ref. 84 for the interaction parameters). Each NP is coated by 804 positively (+1) charged surface ligands (TMA), bound to the NP surface via harmonic potentials (of length 0.395 nm and force constant k = 1.0 × 10 4 kJmol -1 nm -2 ).