VLA-UCB-50c39ae8-9

molecule

Data

Compound ID VLA-UCB-50c39ae8-9
ΔG / kcal M-1 −13.3 ± 0.4
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN432 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-50c39ae8-9_1 molecule −4.9 ± 0.4 work distributions convergence plot
RUN366 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-50c39ae8-9_2 molecule −0.8 ± 0.4 work distributions convergence plot
Last updated 2021-01-31T08:31:34.705671+00:00
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