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Variations of the total Gibbs free energy of the molecules analyzed in the study of molecular dynamics.
| Molecules | Poisson Boltzmann–ΔGTOTAL (differences: complex–receptor–ligand) |
| Donepezil | −27.73 ± 4.03 |
| Compound 1 | −30.97 ± 2.41 |
| Compound 2 | −50.44 ± 1.06 |
| Compound 3 | −25.21 ± 1.96 |
| Compound 4 | −23.50 ± 2.47 |
