| Compound ID | NAU-LAT-b7d8c353-8 |
| ΔG / kcal M-1 | −11.92 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN41 | MAT-POS-b3e365b9-1_1 |
|
NAU-LAT-b7d8c353-8_1 |
|
−2.17 ± 0.09 |
|
|
||||