VLA-UCB-05e51b3f-11

molecule

Data

Compound ID VLA-UCB-05e51b3f-11
ΔG / kcal M-1 −13.4 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN207 MAT-POS-8a69d52e-7_1 molecule VLA-UCB-05e51b3f-11_2 molecule 1.3 ± 0.4 work distributions convergence plot
RUN213 MAT-POS-8a69d52e-7_1 molecule VLA-UCB-05e51b3f-11_1 molecule 1.6 ± 0.4 work distributions convergence plot
Last updated 2020-11-10T02:14:29.618973+00:00
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