All simulations were prepared using the all-atom model of each disaccharide, with each replica containing 20 disaccharide molecules at a concentration of 50 gL -1 , chosen to match the value used in a previous study of disaccharide aggregation in simulation . A previous experimental study reported that trehalose was soluble in water at concentrations up to 689 gL -1 44 and so the disaccharides presented in this work should be readily soluble at 50 gL -1 . To ensure the disaccharide concentration was comparable between all-atom and coarse-grained systems, the required ratio of disaccharides to water molecules was computed using the molecular weights of water and trehalose. This calculation indicated that, to achieve a disaccharide concentration of 50 gL -1 , a water box containing 7609 all-atom water molecules would require 20 disaccharides. Using the standard 4:1 mapping for all-atom water molecules to Martini water beads, we therefore solvated the coarse-grained systems with 1902 water beads.