| Compound ID | JOH-MSK-1f2dff76-4 |
| ΔG / kcal M-1 | −4.4 ± 0.5 |
| pIC50 | 3.2 ± 0.4 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1102 | MAT-POS-c7726e07-5_1 |
|
JOH-MSK-1f2dff76-4_1 |
|
5.5 ± 0.5 |
|
|
|
|||
