Retrospective Analysis

retrospective plot reliable transfromations retrospective plot
Showing 1 through 7 of 49
RUN Initial microstate Final microstate ΔΔG / kcal M-1 ΔΔGexp / kcal M-1 |ΔΔG-ΔΔGexp| / kcal M-1 Work distribution Convergence
RUN22 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-3_1 molecule −0.4 ± 0.1 3.0 ± 0.2 3.3 ± 0.2 work distributions convergence plot
RUN44 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-8_1 molecule −0.13 ± 0.07 1.9 ± 0.2 2.1 ± 0.2 work distributions convergence plot
RUN12 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-11_1 molecule −0.96 ± 0.05 0.1 ± 0.2 1.1 ± 0.2 work distributions convergence plot
RUN39 MAT-POS-b3e365b9-1_1 molecule MAT-POS-11b63608-1_1 molecule 0.06 ± 0.05 1.1 ± 0.2 1.0 ± 0.2 work distributions convergence plot
RUN8 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-13_1 molecule −0.5 ± 0.1 0.4 ± 0.2 0.9 ± 0.2 work distributions convergence plot
RUN15 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-1dbca3b4-15_1 molecule 0.01 ± 0.02 0.6 ± 0.2 0.6 ± 0.2 work distributions convergence plot
RUN36 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-2_1 molecule −0.05 ± 0.05 0.3 ± 0.2 0.3 ± 0.2 work distributions convergence plot
Last updated 2021-01-31T06:25:34.735610+00:00
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