Table 1: Summary of potential and solvation energy average and conformational entropy changes computed using the nearest neighbour approach from monomer (M) to dimer (D) and from dimer to tetramer (T).

(kcal mol−1)-T (kcal mol−1)-T (kcal mol−1)

WT-TTR2MD-49.7 3.74.0 0.810.4
2DT-81.0 2.916.2 0.511.3

MT-TTR2MD-49.8 2.67.6 0.810.4
2DT-77.2 6.514.8 1.110.3