Table 1.
Calculated average enthalpy (H), entropy (TS) and Gibbs free energy (G) values for the WT, A53T mutant, A30 P mutant and E46 K mutant type αS proteins in an aqueous solution medium.
Protein | <H> (kJ·mol−1) | −T<SNMA> (kJ·mol−1) | <GMM/PBSA> (kJ·mol−1) |
---|---|---|---|
WT αS | −9557.4 (±18.4) | −7043.8 (±8.4) | −16,601.4 (±13.0) |
A53T αS | −9662.3 (±21.0) | −7072.0 (±9.6) | −16,734.3 (±10.2) |
A30P αS | −9461.4 (±50.8) | −7057.3 (±18.8) | −16,518.7 (±32.1) |
E46K αS | −9495.6 (±60.9) | −6991.3 (±13.7) | −16,486.9 (±54.2) |