COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 3001 through 3100 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN2752
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-0b412456-2_2
sdf
pdb
0.79
± 0.08
RUN1460
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-ce760d3f-8_2
sdf
pdb
0.8
± 0.4
RUN1192
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-f2e727cd-4_1
sdf
pdb
0.8
± 0.6
RUN737
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-2_4
sdf
pdb
0.8
± 0.3
RUN2720
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-26_1
sdf
pdb
0.8
± 0.3
RUN1939
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-4c7486ba-10_2
sdf
pdb
0.8
± 0.5
RUN4058
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-13_12
sdf
pdb
0.8
± 0.2
RUN2799
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-9db1e783-2_2
sdf
pdb
0.8
± 0.3
RUN4016
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-9_8
sdf
pdb
0.8
± 0.2
RUN4758
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-ddc6ad53-1_2
sdf
pdb
0.8
± 0.3
RUN4849
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-54748b58-1_3
sdf
pdb
0.8
± 0.4
RUN4239
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-1_16
sdf
pdb
0.80
± 0.08
RUN768
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-7_1
sdf
pdb
0.8
± 0.4
RUN3210
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-f893e2a1-9_1
sdf
pdb
0.8
± 0.2
RUN724
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-1_3
sdf
pdb
0.8
± 0.2
RUN800
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-3875bbc8-2_2
sdf
pdb
0.8
± 0.2
RUN2143
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fce787c2-3_1
sdf
pdb
0.8
± 0.4
RUN4137
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-31_1
sdf
pdb
0.8
± 0.2
RUN1211
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-c852c98b-5_2
sdf
pdb
0.8
± 0.3
RUN4212
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-923a35c2-1_3
sdf
pdb
0.8
± 0.3
RUN4428
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-9b23ef84-4_2
sdf
pdb
0.8
± 0.3
RUN1917
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-3fc3434e-8_1
sdf
pdb
0.8
± 0.6
RUN2123
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-40_1
sdf
pdb
0.8
± 0.5
RUN660
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-29afea89-2_1
sdf
pdb
0.8
± 0.1
RUN327
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-05e51b3f-12_2
sdf
pdb
0.8
± 0.3
RUN2183
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-c74bc7b3-2_1
sdf
pdb
0.8
± 0.3
RUN3655
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-58fba2bc-4_1
sdf
pdb
0.8
± 0.2
RUN1906
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ee5ed7c8-8_1
sdf
pdb
0.8
± 0.5
RUN4173
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1b92fa34-5_1
sdf
pdb
0.8
± 0.3
RUN2110
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-28_1
sdf
pdb
0.8
± 0.4
RUN4660
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-ea4eb352-12_1
sdf
pdb
0.8
± 0.2
RUN1663
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-8_2
sdf
pdb
0.8
± 0.4
RUN4670
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-fa7708b3-2_1
sdf
pdb
0.8
± 0.2
RUN4316
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-3_43
sdf
pdb
0.8
± 0.3
RUN2761
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-0b412456-6_2
sdf
pdb
0.8
± 0.4
RUN1497
PET-UNK-29afea89-2_1
sdf
pdb
LAU-MED-88a3970a-1_1
sdf
pdb
0.8
± 0.1
RUN1443
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-15_2
sdf
pdb
0.8
± 0.3
RUN1063
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-29_2
sdf
pdb
0.8
± 0.5
RUN2750
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-0b412456-2_1
sdf
pdb
0.83
± 0.08
RUN3377
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-20_1
sdf
pdb
0.83
± 0.09
RUN728
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-83e0a0b4-4_1
sdf
pdb
0.8
± 0.3
RUN3141
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-37aac4bd-2_1
sdf
pdb
0.8
± 0.2
RUN2702
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-22_1
sdf
pdb
0.8
± 0.3
RUN3899
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-6e4c80cf-3_2
sdf
pdb
0.83
± 0.09
RUN3725
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-2_1
sdf
pdb
0.8
± 0.2
RUN2181
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-76695c4f-10_3
sdf
pdb
0.8
± 0.3
RUN164
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-1dbca3b4-12_2
sdf
pdb
0.8
± 0.4
RUN2774
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-dbbfd3db-6_4
sdf
pdb
0.8
± 0.3
RUN1654
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-4c68219f-13_1
sdf
pdb
0.8
± 0.6
RUN3714
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-8c422e11-3_1
sdf
pdb
0.8
± 0.2
RUN4697
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1981ceba-5_1
sdf
pdb
0.8
± 0.3
RUN3728
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-4_2
sdf
pdb
0.8
± 0.2
RUN2747
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-0b412456-1_2
sdf
pdb
0.84
± 0.09
RUN4082
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-16_10
sdf
pdb
0.8
± 0.3
RUN4782
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-24589f88-8_2
sdf
pdb
0.8
± 0.2
RUN1343
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-35_3
sdf
pdb
0.8
± 0.3
RUN4327
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-3_60
sdf
pdb
0.8
± 0.3
RUN136
PET-UNK-29afea89-2_1
sdf
pdb
NIR-WEI-f9286bb6-1_1
sdf
pdb
0.8
± 0.1
RUN4554
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-cf877e1d-1_4
sdf
pdb
0.8
± 0.2
RUN3740
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-9_4
sdf
pdb
0.8
± 0.2
RUN3580
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-a0a4abd7-8_1
sdf
pdb
0.8
± 0.2
RUN2935
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-2_14
sdf
pdb
0.8
± 0.2
RUN2342
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d08626de-4_1
sdf
pdb
0.9
± 0.3
RUN3454
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-e002e396-2_2
sdf
pdb
0.9
± 0.2
RUN3494
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-611d11e7-8_1
sdf
pdb
0.9
± 0.2
RUN3940
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e6dd326d-2_2
sdf
pdb
0.9
± 0.3
RUN1777
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-78_2
sdf
pdb
0.9
± 0.4
RUN254
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-57_1
sdf
pdb
0.9
± 0.2
RUN673
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-50cce87d-10_1
sdf
pdb
0.9
± 0.2
RUN2131
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-43_1
sdf
pdb
0.9
± 0.4
RUN1372
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-57_1
sdf
pdb
0.9
± 0.2
RUN4022
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-9_14
sdf
pdb
0.9
± 0.2
RUN4961
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-e9a22d5d-2_4
sdf
pdb
0.9
± 0.3
RUN1724
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-44_1
sdf
pdb
0.9
± 0.5
RUN3079
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-4b5c0188-1_4
sdf
pdb
0.9
± 0.2
RUN4019
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-9_12
sdf
pdb
0.9
± 0.2
RUN3393
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-b4e9dd8d-3_1
sdf
pdb
0.86
± 0.09
RUN409
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-23e5a6a0-5_2
sdf
pdb
0.9
± 0.3
RUN4050
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-13_2
sdf
pdb
0.9
± 0.3
RUN4146
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-33_2
sdf
pdb
0.9
± 0.2
RUN5068
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-06e5f114-4_2
sdf
pdb
0.9
± 0.4
RUN313
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-05e51b3f-6_1
sdf
pdb
0.9
± 0.2
RUN4936
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-8_1
sdf
pdb
0.9
± 0.1
RUN1683
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-19_1
sdf
pdb
0.9
± 0.4
RUN343
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-6a508060-5_4
sdf
pdb
0.9
± 0.5
RUN4705
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-dc2604c4-1_3
sdf
pdb
0.9
± 0.3
RUN1534
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-9_1
sdf
pdb
0.9
± 0.3
RUN1815
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-94_11
sdf
pdb
0.9
± 0.3
RUN1339
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-37_1
sdf
pdb
0.9
± 0.4
RUN1743
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-59_1
sdf
pdb
0.9
± 0.6
RUN3182
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fb82b63d-4_3
sdf
pdb
0.9
± 0.2
RUN4616
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-61f37a1a-13_3
sdf
pdb
0.9
± 0.3
RUN968
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-15_9
sdf
pdb
0.9
± 0.5
RUN2913
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-5c5a631c-2_1
sdf
pdb
0.9
± 0.2
RUN4960
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-e9a22d5d-2_3
sdf
pdb
0.9
± 0.2
RUN2726
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-27_1
sdf
pdb
0.89
± 0.10
RUN3054
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-b3e6b0c2-19_1
sdf
pdb
0.9
± 0.2
RUN3445
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-15e90dfc-4_2
sdf
pdb
0.9
± 0.2
RUN4684
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1981ceba-1_4
sdf
pdb
0.9
± 0.3
RUN3474
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-e002e396-10_1
sdf
pdb
0.9
± 0.1
Last updated 2021-06-04T18:13:56.580002+00:00
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