| Compound ID | JOH-UNI-f51e3bbc-4 |
| ΔG / kcal M-1 | −10.7 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN75 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-f51e3bbc-4_1 |
|
−0.9 ± 0.1 |
|
|
||||