Compound ID | EN300-10170_1 |
ΔG / kcal M-1 | −13.4 ± 0.4 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN643 | MAT-POS-8a69d52e-7_1 | EN300-10170_1_1 | −2.4 ± 0.5 | ||||||||
RUN1457 | MAT-POS-8a69d52e-7_1 | EN300-10170_1_2 | −1.6 ± 0.5 |