Figure 8.
Ca2+-DMP complex (extreme right) formed in NTP MD simulations at 298 K and 101.3 kPa. Hydrated calcium ions (center), and hydrated DPM molecules (extreme left), interact to form Ca2+-DMP complex (extreme right) having less associated water molecules. Color codes of atoms: Carbon (cyan), Hydrogen (white), Oxygen (red), Phosphorous (gold), Calcium (green), and water (red-white V’s).