Fig. 2: Molecular dynamic simulations on the evolution of calcium phosphate cluster.

The simulation starts from dissolved ions in water solvent, glycerol-dominant (glycerol + water, water content 16.7 v/v%) and glycerol solvent. A Snapshots of the spatial distributions of ions and formed clusters (marked with dashed circles) at 0 ns and 20 ns. Solvent molecules are omitted for clarity. Atoms Ca, P and O are shown in blue, brown and red, respectively. B Interaction energy between Ca²⁺ and PO₄³⁻ ions in water, glycerol-dominant and glycerol solvent. C The average interaction energy between Ca²⁺ or PO₄³⁻ with glycerol or water in the solvents at the beginning 0–2 ns. D The average interaction energy between a primary cluster (constituted by one Ca²⁺ and one PO₄³⁻) and solvent molecules in the time range of 15–20 s. E The mean square displacement (MSD) of Ca²⁺ and PO₄³⁻ in water, glycerol-dominant and glycerol solvents.