| Compound ID | MAT-POS-b5746674-42 |
| ΔG / kcal M-1 | −3.5 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN30 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-b5746674-42_1 |
|
4.6 ± 0.4 |
|
|
||||