Like implicit solvents, we considered three different explicit solvent compositions. The solvent composition is expressed using the molar fraction, x, of DOL in the solvent, defined as The production simulations were performed in the N P T ensemble at constant pressure P and constant temperature T of 1 bar and 300 K, respectively, in a cubic box with periodic boundary conditions. The timestep was fixed at 2 fs. The temperature was maintained by a Berendsen thermostat with a time constant of 0.1 ps. The pressure was controlled by a Nose-Hoover barostat with a coupling constant of 0.5 ps.