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The comparison of the polar solvation energies of 19 net-neutral proteins obtained from explicit solvent thermodynamic integration (TI) simulations and implicit solvent Poisson-Boltzmann (PB) calculations using the traditional 2-dielectric model with Delphi. For both the cases, the corresponding structures were kept rigid. The TI simulations were performed by the authors of Ref6-7. The Pearson correlation (r) and RMSD (in kcal/mol) of the comparison are also mentioned.
