| Compound ID | BEN-BAS-5c03e89e-1 |
| ΔG / kcal M-1 | −10.9 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN14 | MAT-POS-b3e365b9-1_1 |
|
BEN-BAS-5c03e89e-1_2 |
|
−1.5 ± 0.1 |
|
|
||||
| RUN97 | MAT-POS-b3e365b9-1_1 |
|
BEN-BAS-5c03e89e-1_1 |
|
−0.6 ± 0.2 |
|
|
||||