| Compound ID | MAT-POS-853c0ffa-18 |
| ΔG / kcal M-1 | −9.9 ± 0.7 |
| pIC50 | 7.2 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN570 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-853c0ffa-18_1 |
|
−2.3 ± 0.7 |
|
|
|
|||
