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. 2018 Jan 24;19(2):336. doi: 10.3390/ijms19020336

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)