Retrospective Transformations

retrospective transformations plot - all transformations retrospective transformations plot - reliable transformations retrospective transformations plot - no racemates
Showing 1 through 16 of 11288
RUN Initial microstate Final microstate ΔΔG / kcal M-1 ΔΔGexp / kcal M-1 |ΔΔG-ΔΔGexp| / kcal M-1 Work distribution Convergence
RUN96 MAT-POS-b3e365b9-1_1 molecule ALP-POS-477dc5b7-3_1 molecule −0.8 ± 0.2 3.4 ± 0.2 4.0 ± 0.3 work distributions convergence plot
RUN100 MAT-POS-b3e365b9-1_1 molecule ALP-POS-477dc5b7-3_2 molecule −0.5 ± 0.2 3.4 ± 0.2 4.0 ± 0.3 work distributions convergence plot
RUN22 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-3_1 molecule −0.85 ± 0.09 3.0 ± 0.2 3.8 ± 0.2 work distributions convergence plot
RUN44 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-8_1 molecule 0.03 ± 0.08 1.9 ± 0.2 1.9 ± 0.2 work distributions convergence plot
RUN128 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8e4737f4-1_1 molecule 1.3 ± 0.2 2.9 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN119 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-3_1 molecule 2.3 ± 0.2 3.5 ± 0.2 1.3 ± 0.2 work distributions convergence plot
RUN181 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-2_1 molecule 2.1 ± 0.2 0.9 ± 0.2 1.2 ± 0.3 work distributions convergence plot
RUN8 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-13_1 molecule −0.68 ± 0.09 0.4 ± 0.2 1.1 ± 0.2 work distributions convergence plot
RUN12 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-11_1 molecule −0.81 ± 0.06 0.1 ± 0.2 0.9 ± 0.2 work distributions convergence plot
RUN159 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-7_1 molecule 0.6 ± 0.1 1.5 ± 0.2 0.9 ± 0.2 work distributions convergence plot
RUN39 MAT-POS-b3e365b9-1_1 molecule MAT-POS-11b63608-1_1 molecule 0.02 ± 0.05 1.1 ± 0.2 0.7 ± 0.2 work distributions convergence plot
RUN138 MAT-POS-b3e365b9-1_1 molecule MAT-POS-11b63608-1_2 molecule 2.4 ± 0.2 1.1 ± 0.2 0.7 ± 0.3 work distributions convergence plot
RUN36 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-2_1 molecule −0.15 ± 0.04 0.3 ± 0.2 0.4 ± 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 0.1 ± 0.2 work distributions convergence plot
RUN136 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-1dbca3b4-15_2 molecule 2.6 ± 0.2 0.6 ± 0.2 0.1 ± 0.2 work distributions convergence plot
RUN16 MAT-POS-b3e365b9-1_1 molecule MAT-POS-b3e365b9-1_1 molecule 0.02 ± 0.02 0.0 ± 0.2 0.0 ± 0.2 work distributions convergence plot
Last updated 2021-02-11T07:27:27.453800+00:00
Generated by fah-xchem version 0.1.0+78.gc30b862.dirty