| Compound ID | MAT-POS-e48723dc-2 |
| ΔG / kcal M-1 | −9.0 ± 0.1 |
| pIC50 | 6.55 ± 0.08 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN155 | VLA-UCB-50c39ae8-2_1 |
|
MAT-POS-e48723dc-2_1 |
|
0.08 ± 0.10 |
|
|
|
|||
