COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 2201 through 2300 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN3426
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-6d9ff7d0-2_1
sdf
pdb
0.1
± 0.2
RUN3125
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-9_1
sdf
pdb
0.1
± 0.2
RUN4891
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-67d5babe-5_1
sdf
pdb
0.1
± 0.3
RUN4243
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-1_20
sdf
pdb
0.1
± 0.3
RUN3691
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-7_2
sdf
pdb
0.1
± 0.2
RUN3701
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-17_1
sdf
pdb
0.1
± 0.2
RUN3126
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-9_2
sdf
pdb
0.1
± 0.3
RUN471
PET-UNK-29afea89-2_1
sdf
pdb
FRA-DIA-13af2da5-2_1
sdf
pdb
0.1
± 0.5
RUN3213
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-424a8a89-1_2
sdf
pdb
0.1
± 0.2
RUN91
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-2492181e-1_1
sdf
pdb
0.1
± 0.3
RUN4206
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-6e9f8a43-1_3
sdf
pdb
0.12
± 0.09
RUN5096
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-827e7cb4-2_1
sdf
pdb
0.1
± 0.2
RUN3118
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-6_2
sdf
pdb
0.1
± 0.6
RUN2246
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-3_4
sdf
pdb
0.1
± 0.5
RUN4054
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-13_6
sdf
pdb
0.13
± 0.07
RUN1904
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ee5ed7c8-7_2
sdf
pdb
0.1
± 0.4
RUN3396
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-b4e9dd8d-6_1
sdf
pdb
0.1
± 0.2
RUN3221
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f2f46c9-1_4
sdf
pdb
0.1
± 0.2
RUN4972
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1320d94d-1_1
sdf
pdb
0.1
± 0.2
RUN149
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-9ff17035-3_1
sdf
pdb
0.1
± 0.1
RUN1398
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-4ce8bf23-2_1
sdf
pdb
0.1
± 0.4
RUN17
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0cde14eb-51_1
sdf
pdb
0.1
± 0.2
RUN14
PET-UNK-29afea89-2_1
sdf
pdb
JAN-GHE-f375bf5b-1_1
sdf
pdb
0.1
± 0.2
RUN4689
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1981ceba-3_1
sdf
pdb
0.1
± 0.3
RUN237
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-46_1
sdf
pdb
0.1
± 0.3
RUN3615
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-5369c344-1_2
sdf
pdb
0.1
± 0.2
RUN4386
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-64942dd0-2_2
sdf
pdb
0.1
± 0.2
RUN2355
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-5b152d2f-4_2
sdf
pdb
0.1
± 0.4
RUN1858
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-110_2
sdf
pdb
0.1
± 0.4
RUN4308
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-3_23
sdf
pdb
0.1
± 0.2
RUN3667
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-a02b439d-11_2
sdf
pdb
0.1
± 0.2
RUN4900
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-2_1
sdf
pdb
0.1
± 0.2
RUN4185
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-21fd6073-2_1
sdf
pdb
0.1
± 0.3
RUN4626
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-61f37a1a-15_2
sdf
pdb
0.1
± 0.3
RUN2215
PET-UNK-29afea89-2_1
sdf
pdb
LEE-CAM-7ab9b158-3_2
sdf
pdb
0.1
± 0.4
RUN3878
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-670ad2ee-10_2
sdf
pdb
0.1
± 0.2
RUN3028
PET-UNK-29afea89-2_1
sdf
pdb
MAR-UCB-6ab2ec87-5_1
sdf
pdb
0.1
± 0.5
RUN2651
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-10_2
sdf
pdb
0.1
± 0.4
RUN3669
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-a02b439d-12_2
sdf
pdb
0.1
± 0.2
RUN3313
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-8758c41d-3_1
sdf
pdb
0.1
± 0.2
RUN4681
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1981ceba-1_1
sdf
pdb
0.1
± 0.2
RUN1186
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-c3a96089-3_1
sdf
pdb
0.1
± 0.3
RUN1178
PET-UNK-29afea89-2_1
sdf
pdb
WIL-UNI-0732ac76-2_2
sdf
pdb
0.1
± 0.4
RUN2746
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-0b412456-1_1
sdf
pdb
0.15
± 0.07
RUN2495
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ea72002d-6_1
sdf
pdb
0.2
± 0.4
RUN941
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-10_1
sdf
pdb
0.2
± 0.3
RUN3009
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-15_28
sdf
pdb
0.15
± 0.08
RUN1644
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-4c68219f-8_1
sdf
pdb
0.2
± 0.3
RUN3551
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-cf4b0d25-1_1
sdf
pdb
0.2
± 0.2
RUN4418
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-03fd2068-10_1
sdf
pdb
0.2
± 0.3
RUN4460
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-ec6d90b7-7_1
sdf
pdb
0.2
± 0.2
RUN1240
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-4aa06b95-6_3
sdf
pdb
0.16
± 0.09
RUN1838
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-102_1
sdf
pdb
0.2
± 0.5
RUN2729
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-27_5
sdf
pdb
0.2
± 0.1
RUN2242
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-2_8
sdf
pdb
0.2
± 0.6
RUN699
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-4_6
sdf
pdb
0.2
± 0.3
RUN2987
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-15_5
sdf
pdb
0.2
± 0.2
RUN3266
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-9739a092-2_1
sdf
pdb
0.2
± 0.2
RUN3788
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-b13decd3-9_1
sdf
pdb
0.2
± 0.4
RUN3209
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-f893e2a1-8_2
sdf
pdb
0.2
± 0.2
RUN1958
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-43c25e9b-1_1
sdf
pdb
0.2
± 0.5
RUN3665
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-a02b439d-11_1
sdf
pdb
0.2
± 0.2
RUN3212
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-424a8a89-1_1
sdf
pdb
0.2
± 0.2
RUN3895
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-6e4c80cf-1_2
sdf
pdb
0.2
± 0.3
RUN2414
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-1_9
sdf
pdb
0.2
± 0.6
RUN3754
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-12_4
sdf
pdb
0.2
± 0.2
RUN4121
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-27_1
sdf
pdb
0.2
± 0.2
RUN4075
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-16_2
sdf
pdb
0.2
± 0.2
RUN2205
PET-UNK-29afea89-2_1
sdf
pdb
LEE-CAM-7ab9b158-1_7
sdf
pdb
0.2
± 0.2
RUN3855
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-5d7c542f-4_1
sdf
pdb
0.2
± 0.2
RUN4417
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-03fd2068-9_2
sdf
pdb
0.2
± 0.3
RUN1308
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-45817b9b-2_2
sdf
pdb
0.2
± 0.5
RUN2466
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-0676e700-22_1
sdf
pdb
0.2
± 0.3
RUN2704
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-22_3
sdf
pdb
0.2
± 0.2
RUN4434
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-9b23ef84-7_2
sdf
pdb
0.2
± 0.3
RUN1183
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-25b4df59-1_1
sdf
pdb
0.2
± 0.4
RUN1971
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-2d450e86-7_1
sdf
pdb
0.2
± 0.4
RUN1198
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-f2e727cd-6_1
sdf
pdb
0.2
± 0.4
RUN1319
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-13_1
sdf
pdb
0.2
± 0.4
RUN879
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_30
sdf
pdb
0.2
± 0.3
RUN1317
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-7_2
sdf
pdb
0.2
± 0.5
RUN626
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-706446eb-8_1
sdf
pdb
0.2
± 0.3
RUN3242
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f2f46c9-10_1
sdf
pdb
0.19
± 0.07
RUN4374
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-6e27fddc-5_1
sdf
pdb
0.2
± 0.1
RUN5116
PET-UNK-29afea89-2_1
sdf
pdb
UNK-UNK-2ede4078-78_1
sdf
pdb
0.2
± 0.2
RUN3285
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-a5257d84-1_1
sdf
pdb
0.2
± 0.2
RUN3391
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-b4e9dd8d-1_1
sdf
pdb
0.2
± 0.2
RUN3268
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-9739a092-5_1
sdf
pdb
0.2
± 0.2
RUN3937
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e6dd326d-1_1
sdf
pdb
0.2
± 0.2
RUN785
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-9_7
sdf
pdb
0.2
± 0.1
RUN4725
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-c82a5324-1_6
sdf
pdb
0.2
± 0.3
RUN4277
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-2_30
sdf
pdb
0.20
± 0.07
RUN4555
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-cf877e1d-1_3
sdf
pdb
0.2
± 0.3
RUN3114
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-3_2
sdf
pdb
0.2
± 0.1
RUN2833
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ee07cf00-11_7
sdf
pdb
0.20
± 0.08
RUN4254
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-1_45
sdf
pdb
0.2
± 0.2
RUN3032
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-b3e6b0c2-1_1
sdf
pdb
0.2
± 0.2
RUN1719
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-38_1
sdf
pdb
0.2
± 0.5
RUN3564
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-a0a4abd7-2_1
sdf
pdb
0.2
± 0.2
RUN714
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-7_3
sdf
pdb
0.2
± 0.3
Last updated 2021-06-04T18:13:56.580002+00:00
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