While during the simulations with 8 or 24 fullerene molecules preferential binding was observed to the more exposed binding hot spots at the termini of the protein, the large excess of fullerenes present during the conjugation process would result in the occupation of all or nearly all possible binding sites, effectively coating the protein surface. The sonication, that could not be easily simulated, would further increase the mobility of the fullerenes along the surface of the protein, facilitating the migration of the fullerenes into the more hindered binding sites.