of the core beads. The EO density peak at r ≈ 5 Å (and sudden decrease in the density of the LA and GA monomers) denotes the boundary between the NP core and its hydrophilic PEG-based corona. There is a also peak in the EEK density at the core-shell interface at r ≈ 0 Å), showing that peptides are located at the core-corona interface (as well as in the NP core). We determined the distance between the center of mass (COM) of each protein and the COM of the NP over time during the stationary part of the simulation (Fig. ); two EEK molecules are encapsulated within the core of the NP throughout this part of the simulation, while the remaining EEK molecules are found at the core-shell interface. We do not observe transport of EEK within the NP after the NP self-assembly and NP structural equilibration portions of the simulation conclude.