| Compound ID | JOH-UNI-ea72002d-7 |
| ΔG / kcal M-1 | −12.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2320 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-ea72002d-7_1 |
|
−4.2 ± 0.2 |
|
|
||||
| RUN2324 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-ea72002d-7_2 |
|
4.0 ± 0.3 |
|
|
||||