COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
Reliable transformations
(current)
Retrospective transformations
Reliable Transformations
Showing 1101 through 1200 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN1268
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-6_2
sdf
pdb
−1.1
± 0.3
RUN3129
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-11_1
sdf
pdb
−1.1
± 0.2
RUN2288
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-80f122c8-3_1
sdf
pdb
−1.1
± 0.5
RUN3303
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-70dd90ef-2_1
sdf
pdb
−1.1
± 0.2
RUN417
PET-UNK-29afea89-2_1
sdf
pdb
FRA-DIA-0fa076fe-1_1
sdf
pdb
−1.1
± 0.5
RUN4110
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-24_2
sdf
pdb
−1.1
± 0.3
RUN3275
PET-UNK-29afea89-2_1
sdf
pdb
NIR-THE-3fc2bec4-1_1
sdf
pdb
−1.0
± 0.1
RUN1799
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-91_1
sdf
pdb
−1.0
± 0.4
RUN3244
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f2f46c9-10_3
sdf
pdb
−1.0
± 0.2
RUN1450
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-15_10
sdf
pdb
−1.0
± 0.3
RUN858
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_9
sdf
pdb
−1.0
± 0.2
RUN1335
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-34_1
sdf
pdb
−1.0
± 0.2
RUN1389
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-4ce8bf23-1_1
sdf
pdb
−1.0
± 0.2
RUN3296
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-3b97339c-2_1
sdf
pdb
−1.0
± 0.1
RUN51
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-ce40166b-12_1
sdf
pdb
−1.0
± 0.2
RUN3191
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-3a43cd95-4_1
sdf
pdb
−1.0
± 0.1
RUN211
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-27_1
sdf
pdb
−1.0
± 0.2
RUN2273
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-13_7
sdf
pdb
−1.0
± 0.2
RUN3267
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-9739a092-3_1
sdf
pdb
−1.0
± 0.1
RUN943
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-10_3
sdf
pdb
−1.0
± 0.3
RUN1253
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-2_3
sdf
pdb
−1.0
± 0.2
RUN2202
PET-UNK-29afea89-2_1
sdf
pdb
LEE-CAM-7ab9b158-1_3
sdf
pdb
−1.0
± 0.4
RUN3071
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-f37eaa14-9_2
sdf
pdb
−1.0
± 0.2
RUN2449
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-0676e700-5_1
sdf
pdb
−1.0
± 0.4
RUN2230
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-2905de8c-2_2
sdf
pdb
−1.0
± 0.5
RUN2741
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-30_2
sdf
pdb
−1.0
± 0.1
RUN2490
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ea72002d-4_2
sdf
pdb
−1.0
± 0.3
RUN959
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-15_1
sdf
pdb
−0.99
± 0.08
RUN556
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-14_2
sdf
pdb
−1.0
± 0.3
RUN3913
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-009f762b-4_2
sdf
pdb
−1.0
± 0.1
RUN3562
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-a0a4abd7-1_2
sdf
pdb
−1.0
± 0.2
RUN614
PET-UNK-29afea89-2_1
sdf
pdb
ADA-UCB-dc2b944c-16_1
sdf
pdb
−1.0
± 0.3
RUN4628
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-a577c8a2-3_1
sdf
pdb
−1.0
± 0.3
RUN995
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-18_6
sdf
pdb
−1.0
± 0.3
RUN1688
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-24_1
sdf
pdb
−1.0
± 0.2
RUN3388
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-27_2
sdf
pdb
−1.0
± 0.2
RUN144
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-53551c05-11_1
sdf
pdb
−1.0
± 0.3
RUN3086
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-9a7dc93f-4_1
sdf
pdb
−1.0
± 0.2
RUN4018
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-9_10
sdf
pdb
−0.9
± 0.2
RUN2445
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-9_2
sdf
pdb
−0.9
± 0.4
RUN2596
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d203f206-35_1
sdf
pdb
−0.9
± 0.4
RUN1100
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-d6de1f3c-7_2
sdf
pdb
−0.9
± 0.3
RUN2545
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-fcba3f31-8_1
sdf
pdb
−0.9
± 0.5
RUN129
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-c66144cb-1_2
sdf
pdb
−0.9
± 0.3
RUN324
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-05e51b3f-14_1
sdf
pdb
−0.9
± 0.3
RUN3177
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fb82b63d-4_1
sdf
pdb
−0.9
± 0.3
RUN3049
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-b3e6b0c2-13_2
sdf
pdb
−0.9
± 0.2
RUN2508
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-2_7
sdf
pdb
−0.9
± 0.4
RUN4624
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-61f37a1a-15_1
sdf
pdb
−0.9
± 0.3
RUN1598
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-51_1
sdf
pdb
−0.9
± 0.4
Last updated 2021-06-04T18:13:56.580002+00:00
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