Dynamics and Thermodynamics of Transthyretin Association from Molecular Dynamics Simulations

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-TTR	2MD	-49.7 3.7	4.0 0.8	10.4
	2DT	-81.0 2.9	16.2 0.5	11.3
MT-TTR	2MD	-49.8 2.6	7.6 0.8	10.4
	2DT	-77.2 6.5	14.8 1.1	10.3