COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
Reliable transformations
(current)
Retrospective transformations
Reliable Transformations
Showing 2001 through 2100 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN2552
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-40433386-3_1
sdf
pdb
−0.1
± 0.4
RUN1171
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-6fede743-5_1
sdf
pdb
−0.1
± 0.5
RUN1447
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-15_5
sdf
pdb
−0.1
± 0.2
RUN2350
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-9e38fd34-4_2
sdf
pdb
−0.1
± 0.3
RUN4956
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-a24cc7ce-2_2
sdf
pdb
−0.1
± 0.2
RUN3378
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-20_2
sdf
pdb
−0.1
± 0.2
RUN188
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-6747fa38-1_1
sdf
pdb
−0.1
± 0.1
RUN2689
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-17_2
sdf
pdb
−0.05
± 0.08
RUN659
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-0543f7f2-10_1
sdf
pdb
−0.1
± 0.3
RUN2322
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-f702bf1c-8_1
sdf
pdb
−0.0
± 0.3
RUN3206
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-f893e2a1-7_1
sdf
pdb
−0.0
± 0.2
RUN1691
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-22_1
sdf
pdb
−0.0
± 0.5
RUN2225
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-2905de8c-1_1
sdf
pdb
−0.0
± 0.4
RUN2361
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-5b152d2f-7_1
sdf
pdb
−0.0
± 0.3
RUN4452
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-ec6d90b7-2_1
sdf
pdb
−0.0
± 0.4
RUN591
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-bcd487e9-5_1
sdf
pdb
−0.0
± 0.4
RUN1599
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-54_1
sdf
pdb
−0.0
± 0.4
RUN1376
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-5ff57136-7_1
sdf
pdb
−0.0
± 0.2
RUN2417
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-1_13
sdf
pdb
−0.0
± 0.2
RUN3099
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-7c6e02c7-1_1
sdf
pdb
−0.0
± 0.4
RUN19
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0cde14eb-54_1
sdf
pdb
−0.02
± 0.09
RUN954
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-12_5
sdf
pdb
−0.0
± 0.3
RUN412
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-23e5a6a0-6_2
sdf
pdb
−0.0
± 0.4
RUN1119
PET-UNK-29afea89-2_1
sdf
pdb
JOH-SUS-a69c159d-2_2
sdf
pdb
−0.0
± 0.3
RUN2882
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-ecdbc7dd-4_2
sdf
pdb
−0.0
± 0.2
RUN4714
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-dc2604c4-3_3
sdf
pdb
−0.0
± 0.2
RUN3753
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-12_3
sdf
pdb
−0.0
± 0.1
RUN2687
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-18_4
sdf
pdb
−0.00
± 0.01
RUN2979
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-13_1
sdf
pdb
−0.00
± 0.02
RUN826
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-23_1
sdf
pdb
−0.0
± 0.2
RUN855
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_6
sdf
pdb
0.001
± 0.004
RUN756
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-4_2
sdf
pdb
0.0
± 0.1
RUN838
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-31_5
sdf
pdb
0.003
± 0.008
RUN2731
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-27_8
sdf
pdb
0.01
± 0.02
RUN2511
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-4_2
sdf
pdb
0.0
± 0.3
RUN1947
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-50ce7ec3-4_1
sdf
pdb
0.0
± 0.5
RUN747
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-3_7
sdf
pdb
0.0
± 0.2
RUN1151
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-b7886382-4_1
sdf
pdb
0.0
± 0.3
RUN2846
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ee07cf00-18_2
sdf
pdb
0.0
± 0.2
RUN219
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-36_1
sdf
pdb
0.0
± 0.1
RUN4987
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1320d94d-16_1
sdf
pdb
0.0
± 0.3
Last updated 2021-06-04T18:13:56.580002+00:00
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