| Compound ID | BEN-DND-c852c98b-7 |
| ΔG / kcal M-1 | −9.58 ± 0.06 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN35 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-c852c98b-7_1 |
|
0.18 ± 0.05 |
|
|
||||