All MD simulations were carried out using GROMACS 2019 and 2021.2 in the Martini 2.3P forceeld and ve independent simulations were performed for each system. A truncated octahedral box was built around a single molecule of HSA, with the distance between opposing hexagonal sides equalling 34.24 nm, leading in practice to a volume of 30841.5 nm 3 . Each simulation contained a single molecule of HSA and approximately 233,000 MAR- TINI water molecules, for a protein concentration of 0.0538 mM or 3.61 mg/ml; therapeutic HSA formulations are typically between 5% and 25% w/v.