Compound ID | EN300-208959_1 |
ΔG / kcal M-1 | −12.6 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN8813 | MAT-POS-8a69d52e-7_1 | EN300-208959_1_2 | −6.6 ± 0.2 | ||||||||
RUN6568 | MAT-POS-8a69d52e-7_1 | EN300-208959_1_3 | −1.5 ± 0.3 | ||||||||
RUN2787 | MAT-POS-8a69d52e-7_1 | EN300-208959_1_1 | 1.2 ± 0.3 | ||||||||
RUN3070 | MAT-POS-8a69d52e-7_1 | EN300-208959_1_4 | 10.5 ± 0.2 |