VLA-UCB-1dbca3b4-18

molecule

Data

Compound ID VLA-UCB-1dbca3b4-18
ΔG / kcal M-1 −13.8 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN93 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-1dbca3b4-18_1 molecule −5.3 ± 0.3 work distributions convergence plot
RUN111 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-1dbca3b4-18_2 molecule −2.2 ± 0.2 work distributions convergence plot
Last updated 2021-01-31T08:31:34.705671+00:00
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