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Thermodynamic parameters of unfolding of the Trp cage mini protein. Errors are shown in the bracket.
| [Urea] (M) | model | Tm (K) | ΔH(Tm) kJ/mol | Cp (kJ/mol/K) | ΔG (298K) kJ/mol |
|---|---|---|---|---|---|
| 0 | ff03ws | 328 (5) | 32 (4) | 0.12 (0.04) | 2.6 (0.4) |
| 0 | Experiment | 314 (2) | 56 (2) | 0.3 (0.1) | 2.6 (0.3) |
| 3.13 | ff03ws·KBFF | 323 (2) | 41 (2) | −0.03 (0.02) | 3.0 (0.3) |
| 3.13 | ff03ws·KBFFs | 280 (12) | 19 (7) | 0.13 (0.04) | −1.5 (0.7) |
| 3.13 | Experiment | 284 (3) | 34 (5) | 0.34 (0.10) | −1.7 (0.4) |
