| Compound ID | MAT-POS-e48723dc-2 |
| ΔG / kcal M-1 | −12.9 ± 0.5 |
| pIC50 | 9.4 ± 0.4 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN343 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-e48723dc-2_1 |
|
−6.1 ± 0.6 |
|
|
|
|||
| RUN344 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-e48723dc-2_1 |
|
−5.2 ± 0.5 |
|
|
|
|||
