Compound ID | EN300-1644723_1 |
ΔG / kcal M-1 | −10.0 ± 0.1 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN8829 | MAT-POS-8a69d52e-7_1 | EN300-1644723_1_7 | −3.7 ± 0.2 | ||||||||
RUN4878 | MAT-POS-8a69d52e-7_1 | EN300-1644723_1_4 | −3.6 ± 0.3 | ||||||||
RUN4898 | MAT-POS-8a69d52e-7_1 | EN300-1644723_1_5 | −3.5 ± 0.2 | ||||||||
RUN8953 | MAT-POS-8a69d52e-7_1 | EN300-1644723_1_8 | −3.1 ± 0.3 | ||||||||
RUN8528 | MAT-POS-8a69d52e-7_1 | EN300-1644723_1_2 | −2.9 ± 0.2 | ||||||||
RUN8328 | MAT-POS-8a69d52e-7_1 | EN300-1644723_1_1 | −2.4 ± 0.2 | ||||||||
RUN3730 | MAT-POS-8a69d52e-7_1 | EN300-1644723_1_6 | −1.3 ± 0.2 | ||||||||
RUN9265 | MAT-POS-8a69d52e-7_1 | EN300-1644723_1_3 | −1.1 ± 0.2 |