COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 4201 through 4300 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN4454
PET-UNK-29afea89-2_1
sdf
pdb
ROB-UNI-6ee2df8c-1_1
sdf
pdb
2.2
± 0.3
RUN1721
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-39_1
sdf
pdb
2.2
± 0.4
RUN5088
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-8293a91a-2_1
sdf
pdb
2.2
± 0.3
RUN4432
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-9b23ef84-6_2
sdf
pdb
2.2
± 0.3
RUN4106
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-23_2
sdf
pdb
2.2
± 0.3
RUN807
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-8_1
sdf
pdb
2.2
± 0.3
RUN2489
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ea72002d-4_3
sdf
pdb
2.2
± 0.3
RUN3989
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-5_1
sdf
pdb
2.2
± 0.3
RUN4220
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-923a35c2-3_3
sdf
pdb
2.2
± 0.4
RUN4650
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-ea4eb352-8_1
sdf
pdb
2.2
± 0.3
RUN3901
PET-UNK-29afea89-2_1
sdf
pdb
CHE-UNK-1fcbaeee-2_1
sdf
pdb
2.2
± 0.2
RUN79
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-b5746674-100_1
sdf
pdb
2.2
± 0.3
RUN3722
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-1_4
sdf
pdb
2.2
± 0.1
RUN1356
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-47_1
sdf
pdb
2.2
± 0.6
RUN4216
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-923a35c2-2_4
sdf
pdb
2.2
± 0.4
RUN2190
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-76695c4f-9_1
sdf
pdb
2.2
± 0.3
RUN3026
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-16_2
sdf
pdb
2.2
± 0.3
RUN4455
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-ec6d90b7-5_1
sdf
pdb
2.2
± 0.4
RUN5104
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-827e7cb4-3_2
sdf
pdb
2.2
± 0.4
RUN2509
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-3_1
sdf
pdb
2.2
± 0.3
RUN4040
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-11_12
sdf
pdb
2.2
± 0.3
RUN4703
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-dc2604c4-1_1
sdf
pdb
2.2
± 0.3
RUN3713
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-8c422e11-2_1
sdf
pdb
2.2
± 0.5
RUN534
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-5_1
sdf
pdb
2.2
± 0.3
RUN3598
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-932d1078-4_1
sdf
pdb
2.2
± 0.3
RUN4573
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-bcc8fd08-4_2
sdf
pdb
2.2
± 0.3
RUN4835
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-82cf4849-6_1
sdf
pdb
2.2
± 0.2
RUN1685
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-20_1
sdf
pdb
2.2
± 0.5
RUN5055
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-f1807566-2_2
sdf
pdb
2.2
± 0.2
RUN2438
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-7_3
sdf
pdb
2.2
± 0.3
RUN2307
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-16ccb665-1_1
sdf
pdb
2.2
± 0.3
RUN2041
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-18_2
sdf
pdb
2.2
± 0.4
RUN1746
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-62_1
sdf
pdb
2.2
± 0.4
RUN2294
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-80f122c8-3_6
sdf
pdb
2.2
± 0.3
RUN1896
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ee5ed7c8-5_1
sdf
pdb
2.2
± 0.4
RUN1736
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-56_1
sdf
pdb
2.2
± 0.5
RUN3868
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-670ad2ee-5_2
sdf
pdb
2.2
± 0.6
RUN1062
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-29_1
sdf
pdb
2.2
± 0.2
RUN3998
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-7_2
sdf
pdb
2.2
± 0.3
RUN3685
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-4_1
sdf
pdb
2.2
± 0.1
RUN1687
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-21_1
sdf
pdb
2.2
± 0.5
RUN3460
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-e002e396-4_2
sdf
pdb
2.2
± 0.2
RUN1813
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-94_12
sdf
pdb
2.2
± 0.5
RUN4521
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-5f1400cf-2_4
sdf
pdb
2.2
± 0.3
RUN4004
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-8_3
sdf
pdb
2.2
± 0.2
RUN3091
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-9a7dc93f-6_2
sdf
pdb
2.2
± 0.3
RUN4125
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-28_1
sdf
pdb
2.2
± 0.4
RUN2039
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-17_2
sdf
pdb
2.2
± 0.6
RUN2087
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-3_1
sdf
pdb
2.2
± 0.4
RUN2623
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-2_4
sdf
pdb
2.2
± 0.3
RUN1197
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-f2e727cd-5_2
sdf
pdb
2.2
± 0.4
RUN869
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_19
sdf
pdb
2.2
± 0.4
RUN1491
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-a38a7bdd-6_2
sdf
pdb
2.2
± 0.4
RUN4084
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-16_11
sdf
pdb
2.2
± 0.3
RUN4079
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-16_7
sdf
pdb
2.2
± 0.3
RUN3921
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-49566573-2_1
sdf
pdb
2.3
± 0.2
RUN4354
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-d1eb1f41-3_1
sdf
pdb
2.3
± 0.3
RUN2343
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-9e38fd34-1_1
sdf
pdb
2.3
± 0.4
RUN2158
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fce787c2-11_1
sdf
pdb
2.3
± 0.3
RUN1580
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-44_1
sdf
pdb
2.3
± 0.6
RUN4174
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1b92fa34-6_1
sdf
pdb
2.3
± 0.3
RUN2185
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-89e65850-1_2
sdf
pdb
2.3
± 0.2
RUN4201
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5d22d78d-2_1
sdf
pdb
2.3
± 0.2
RUN5029
PET-UNK-29afea89-2_1
sdf
pdb
VLA-MRT-a639d434-3_1
sdf
pdb
2.3
± 0.3
RUN4425
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-9b23ef84-2_1
sdf
pdb
2.3
± 0.4
RUN4908
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-3_4
sdf
pdb
2.3
± 0.2
RUN4824
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-82cf4849-1_1
sdf
pdb
2.3
± 0.4
RUN2693
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-19_4
sdf
pdb
2.3
± 0.2
RUN3121
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-8_1
sdf
pdb
2.3
± 0.3
RUN1997
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-2d450e86-31_1
sdf
pdb
2.3
± 0.4
RUN4323
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-3_56
sdf
pdb
2.3
± 0.3
RUN2655
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-11_2
sdf
pdb
2.3
± 0.3
RUN3635
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-b701bd13-3_2
sdf
pdb
2.3
± 0.3
RUN2137
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-6be260fc-6_1
sdf
pdb
2.3
± 0.6
RUN3646
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-3bb57da2-3_1
sdf
pdb
2.3
± 0.3
RUN2187
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-89e65850-2_1
sdf
pdb
2.3
± 0.5
RUN1781
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-83_1
sdf
pdb
2.3
± 0.5
RUN1976
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-2d450e86-11_1
sdf
pdb
2.3
± 0.6
RUN5027
PET-UNK-29afea89-2_1
sdf
pdb
VLA-MRT-a639d434-2_1
sdf
pdb
2.3
± 0.4
RUN1699
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-31_1
sdf
pdb
2.3
± 0.4
RUN1074
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-31_5
sdf
pdb
2.3
± 0.5
RUN4281
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-2_34
sdf
pdb
2.3
± 0.3
RUN1995
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-2d450e86-32_1
sdf
pdb
2.3
± 0.4
RUN4702
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-022eab87-2_1
sdf
pdb
2.3
± 0.3
RUN2051
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-23_2
sdf
pdb
2.3
± 0.5
RUN4962
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-a24cc7ce-7_1
sdf
pdb
2.3
± 0.4
RUN4968
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-a9ad2217-2_2
sdf
pdb
2.3
± 0.2
RUN1844
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-109_1
sdf
pdb
2.3
± 0.5
RUN2078
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-5d65ec79-2_1
sdf
pdb
2.3
± 0.7
RUN4716
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-dc2604c4-4_2
sdf
pdb
2.3
± 0.2
RUN3896
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-6e4c80cf-2_1
sdf
pdb
2.3
± 0.4
RUN2492
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-0676e700-30_1
sdf
pdb
2.3
± 0.3
RUN4247
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-1_33
sdf
pdb
2.3
± 0.2
RUN2926
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-2_3
sdf
pdb
2.3
± 0.1
RUN4825
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-015fb6b4-2_1
sdf
pdb
2.3
± 0.4
RUN2713
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-25_2
sdf
pdb
2.3
± 0.2
RUN5042
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-a3f7f96a-6_3
sdf
pdb
2.3
± 0.3
RUN1859
PET-UNK-29afea89-2_1
sdf
pdb
CHO-MSK-5891c1ff-3_1
sdf
pdb
2.3
± 0.4
RUN3963
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-9bf1291a-1_2
sdf
pdb
2.3
± 0.3
RUN1726
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-48_1
sdf
pdb
2.3
± 0.5
Last updated 2021-06-04T18:13:56.580002+00:00
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