Compound ID | EN300-201551_1 |
ΔG / kcal M-1 | −9.9 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN8100 | MAT-POS-8a69d52e-7_1 | EN300-201551_1_1 | −3.6 ± 0.3 | ||||||||
RUN4686 | MAT-POS-8a69d52e-7_1 | EN300-201551_1_2 | −3.0 ± 0.2 | ||||||||
RUN9185 | MAT-POS-8a69d52e-7_1 | EN300-201551_1_3 | −2.6 ± 0.2 | ||||||||
RUN7128 | MAT-POS-8a69d52e-7_1 | EN300-201551_1_4 | −1.6 ± 0.3 |