| Compound ID | EN300-341337_2 |
| ΔG / kcal M-1 | −20.1 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN8295 | MAT-POS-b3e365b9-1_1 |
|
EN300-341337_2_3 |
|
−11.5 ± 0.2 |
|
|
||||
| RUN5421 | MAT-POS-b3e365b9-1_1 |
|
EN300-341337_2_4 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN5429 | MAT-POS-b3e365b9-1_1 |
|
EN300-341337_2_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN4426 | MAT-POS-b3e365b9-1_1 |
|
EN300-341337_2_2 |
|
5.6 ± 0.2 |
|
|
||||