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Deviation of (ΔΔGpol) values (kcal/mol) from those computed with TIP3P explicit solvent model. Atomic radii sets used in implicit solvent estimates are given in parenthesis.
| TIP4PEw | OPC | PB(Bondi) | GBNSR6(Bondi) | GBNSR6(Bondi scaled) | |
|---|---|---|---|---|---|
| RMSD | 5.30 | 2.47 | 5.14 | 7.04 | 5.31 |
| avg | 4.29 | −0.57 | −0.99 | −4.37 | −0.36 |
| corr. coef. (r2) | 0.81 | 0.91 | 0.52 | 0.47 | 0.50 |
| RMS of worst 20% | 8.36 | 4.41 | 9.2 | 12.56 | 9.57 |
