| Compound ID | MAT-POS-14ad9fe9-1 |
| ΔG / kcal M-1 | −6.98 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | 5.138347525509095 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1076 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-14ad9fe9-1_1 |
|
4.3 ± 0.5 |
|
|
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