| Compound ID | EN300-6736413_4 |
| ΔG / kcal M-1 | −14.3 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN677 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736413_4_2 |
|
−2.4 ± 0.3 |
|
|
||||
| RUN669 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736413_4_2 |
|
−1.6 ± 0.3 |
|
|
||||
| RUN941 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736413_4_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN933 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736413_4_1 |
|
−0.9 ± 0.3 |
|
|
||||