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Binding Energies Computed for the Three Carbamazepine-Sulfobutylether7-β-Cyclodextrin Complexes Post-5-ns MD Simulation
| Sr. no. | Complex | SBE substitution site on BCD | Binding energy (kcal/mol) |
|---|---|---|---|
| 1 | Case 1 | Interaction of carbamazepine with SBEBCD isomer 1 | −6.03 |
| 2 | Case 2 | Interaction of carbamazepine with SBEBCD isomer 2 | −6.04 |
| 3 | Case 3 | Interaction of carbamazepine with SBEBCD isomer 3 | −6.03 |
