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(Pseudo)binding free energies evaluated through the scoring function of AutoDock VINA for the top ranked poses of both amitriptyline and chlorpromazine on AcrBEC and AcrBST
| Complexa | ΔGmax (kcal/mol) |
|---|---|
| AMI-AcrBEC | −11.6 |
| AMI-AcrBST | −12.1 |
| CPZ-AcrBEC | −9.2 |
| CPZ-AcrBST | −9.3 |
All corresponding poses are localized within the DPT. CPZ, chlorpromazine; AMI, amitriptyline.
