Plasma Protein Association with High Drug-Loaded Polymer Micelles: An Atomistic Molecular Dynamics Study

Files containing the final structures with explicit solvent (water molecules) and the corresponding topology files, including all bonded and non-bonded parameters as well as partial charges. The provided structure files represent the final configurations extracted from the end of the production trajectories. M.V.K. acknowledges the support from the Research Council of Finland (Decision No. 359499), and M.K. thanks Foundation PS for financial support and the Research Council of Finland Flagship of Advanced Mathematics for Sensing Imaging and Modelling grant 358944. The authors wish to acknowledge CSC – IT Center for Science, Finland, for computational resources (Project numbers 2006027, 2001680, 462000998 and 462000354)