Hydrodynamics and Aggregation of Nanoparticles with Protein Corona: Effects of Protein Concentration and Ionic Strength (Small 51/2024)

Nanoparticles Coarse-grained simulations capture the effect of protein concentration on the aggregation and hydrodynamics of nanoparticles coated with protein corona, while all-atom simulations reveal that the influence of ionic strength on particle aggregation depends on the specific proteins involved, in agreement with experiments, which are interpreted by binding free energies, as well as electrostatic and hydrophobic interactions between particles and proteins. More in article number 2403913, Hwankyu Lee.