Compound ID | EN300-195756_3 |
ΔG / kcal M-1 | −13.8 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1919 | MAT-POS-8a69d52e-7_1 | EN300-195756_3_2 | −1.8 ± 0.4 | ||||||||
RUN1927 | MAT-POS-8a69d52e-7_1 | EN300-195756_3_2 | −1.7 ± 0.4 | ||||||||
RUN1360 | MAT-POS-8a69d52e-7_1 | EN300-195756_3_1 | −1.5 ± 0.3 |