| Compound ID | MAT-POS-8a69d52e-4 |
| ΔG / kcal M-1 | −9.29 ± 0.08 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN13 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-8a69d52e-4_2 |
|
−0.87 ± 0.06 |
|
|
||||