Table 2.

AutoDock-predicted binding energies (kcal/mol) for the binding of the compounds CO, SA, and CH to three representative amyloid monomeric models obtained in the previous simulation study [50].

Binding Mode	Aβ1-42 Model 1			Aβ1-42 Model 2			Aβ1-42 Model 3
	CO	SA	CH	CO	SA	CH	CO	SA	CH
1	−8.03	−9.10	−8.59	−10.17	−10.26	−10.07	−9.44	−9.07	−8.82
2	−6.68	−7.24	−7.39	−7.53	−8.58	−8.36	−8.11	−8.99	−8.31
3	−6.36		−6.05	−7.52			−6.68	−8.69	−7.05
4	−6.24		−6.03	−7.07			−6.58	−6.87	−6.86
5	−5.57			−7.00			−5.84
6	−5.42						−5.30
7	−5.34
8	−5.28