Compound ID | EN300-10414_2 |
ΔG / kcal M-1 | −11.0 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN634 | MAT-POS-b3e365b9-1_1 |
|
EN300-10414_2_1 |
|
−2.0 ± 0.3 |
![]() |
![]() |
||||
RUN307 | MAT-POS-b3e365b9-1_1 |
|
EN300-10414_2_2 |
|
0.9 ± 0.4 |
![]() |
![]() |