Table 1. Calculated average enthalpy (H), solvation free energy (Gsol), H–Gsol, Entropy (TS), and Gibbs Free Energy (G) Values for the Wild-Type (WT) and A30P Mutant-Type (A30P) α-Synuclein Proteins.
| peptide | ⟨Etotal⟩ (kJ mol-1) | ⟨Gsol⟩ (kJ mol-1) | ⟨H⟩ (kJ mol-1) | T⟨S⟩ (kJ mol-1) | ⟨G⟩ (kJ mol-1) |
|---|---|---|---|---|---|
| WT | 7146.5 (±174.3) | –16 704.1 (±169.7) | –9557.4 (±18.4) | 7043.8 (±8.4) | –16 601.4 (±13.0) |
| A30P | 7861.6 (±240.8) | –17 323.0 (±200.0) | –9461.4 (±50.8) | 7057.3 (±18.8) | –16 518.7 (±32.1) |