VLA-UCB-34f3ed0c-21

molecule

Data

Compound ID VLA-UCB-34f3ed0c-21
ΔG / kcal M-1 −10.7 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN38 MAT-POS-8a69d52e-7_1 molecule VLA-UCB-34f3ed0c-21_2 molecule −4.2 ± 0.3 work distributions convergence plot
RUN22 MAT-POS-8a69d52e-7_1 molecule VLA-UCB-34f3ed0c-21_1 molecule −3.1 ± 0.3 work distributions convergence plot
Last updated 2020-12-04T06:00:16.780455+00:00
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