All AA-MD simulations were performed by means of GROMACS 2018. The dynamics was integrated with a standard timestep of 2 fs. The temperature was maintained at T=300 K and the pressure at P=1 atm by coupling the dynamics with the V-rescale thermostat and the Berendsen barostat, with isotropic pressure scaling, respectively. Both algorithms were applied with a coupling time of 1 ps. Before the production runs all the systems were energy-minimized via steepest descent algorithm, and then a brief equilibration cycle of 200 ps, with an integration step of 1 fs, was performed to relax the initial configuration. Long range electrostatics is handled by means of Particle Mesh Ewald method. All CG-MD simulations were performed by means of GROMACS 2018. The dynamics was integrated with a standard timestep of 20 fs. The temperature was maintained at T=300 K and the pressure at P=1 atm by coupling the dynamics with the V-rescale thermostat and the Berendsen barostat, with isotropic pressure scaling, respectively. Both algorithm were applied with coupling time of 1 ps. Again, before the production runs all the systems were energy-minimized via steepest descent algorithm, and then a brief equilibration cycle of 50 ps, with an integration step of 5 fs, was performed to relax the initial configuration. For the Coulomb and van der Waals interactions a cut-off of 1.1 nm was employed, using a relative dielectric constant of =15, according to the MARTINI force-field scheme. 11