| Compound ID | NAU-LAT-0543f7f2-10 |
| ΔG / kcal M-1 | −9.8 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN60 | MAT-POS-b3e365b9-1_1 |
|
NAU-LAT-0543f7f2-10_2 |
|
−0.0 ± 0.3 |
|
|
||||