Calculated potential energy of interaction (ΔE) and free energy of hydration (ΔG) for the interaction of flueggenines with the tubulin dimer
| Compounds | ΔE (kcal/mol) | ΔG (kcal/mol) |
|---|---|---|
| Flueggenine A | –61.10 | –23.95 |
| Flueggenine B | –77.10 | –18.30 |
| Flueggenine C | –64.70 | –24.90 |
| Flueggenine D | –68.05 | –28.40 |
| Flueggenine E | –72.40 | –29.75 |
| Flueggenine F | –51.35 | –20.30 |
| Flueggenine G | –65.80 | –27.20 |
| Flueggenine H | –65.30 | –19.40 |
| Flueggenine I | –76.40 | –28.00 |