COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 1601 through 1700 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN2626
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-4_1
sdf
pdb
−0.5
± 0.5
RUN1591
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-48_2
sdf
pdb
−0.5
± 0.4
RUN1660
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-5_1
sdf
pdb
−0.5
± 0.3
RUN3097
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-689df078-1_1
sdf
pdb
−0.5
± 0.2
RUN4974
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1320d94d-3_1
sdf
pdb
−0.5
± 0.2
RUN3062
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-f37eaa14-6_1
sdf
pdb
−0.5
± 0.2
RUN3246
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-b9827f26-1_1
sdf
pdb
−0.5
± 0.2
RUN3167
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-70ae9412-2_1
sdf
pdb
−0.5
± 0.2
RUN2313
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-f702bf1c-4_1
sdf
pdb
−0.5
± 0.3
RUN1969
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-2d450e86-4_1
sdf
pdb
−0.5
± 0.3
RUN813
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-9_1
sdf
pdb
−0.5
± 0.2
RUN4691
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1981ceba-3_3
sdf
pdb
−0.5
± 0.3
RUN791
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-12_2
sdf
pdb
−0.5
± 0.3
RUN1138
PET-UNK-29afea89-2_1
sdf
pdb
BEN-BAS-c2bc0d80-7_1
sdf
pdb
−0.5
± 0.3
RUN1133
PET-UNK-29afea89-2_1
sdf
pdb
BEN-BAS-c2bc0d80-1_1
sdf
pdb
−0.5
± 0.3
RUN1130
PET-UNK-29afea89-2_1
sdf
pdb
JOH-SUS-a69c159d-7_1
sdf
pdb
−0.5
± 0.4
RUN3758
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-16_1
sdf
pdb
−0.5
± 0.2
RUN4811
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-2c6614b6-6_1
sdf
pdb
−0.5
± 0.2
RUN4108
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-23_3
sdf
pdb
−0.48
± 0.06
RUN778
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-9_1
sdf
pdb
−0.5
± 0.3
RUN28
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0cde14eb-58_1
sdf
pdb
−0.5
± 0.5
RUN1021
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-21_7
sdf
pdb
−0.5
± 0.2
RUN4261
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-1_61
sdf
pdb
−0.5
± 0.1
RUN2572
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d203f206-10_1
sdf
pdb
−0.5
± 0.3
RUN2786
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-dbbfd3db-15_2
sdf
pdb
−0.5
± 0.3
RUN2407
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-1_2
sdf
pdb
−0.5
± 0.3
RUN3358
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-10_2
sdf
pdb
−0.5
± 0.1
RUN334
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-6a508060-2_1
sdf
pdb
−0.5
± 0.7
RUN1141
PET-UNK-29afea89-2_1
sdf
pdb
BEN-BAS-c2bc0d80-4_2
sdf
pdb
−0.5
± 0.2
RUN739
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-2_6
sdf
pdb
−0.5
± 0.3
RUN1513
PET-UNK-29afea89-2_1
sdf
pdb
LAU-MED-88a3970a-17_1
sdf
pdb
−0.5
± 0.6
RUN1833
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-99_4
sdf
pdb
−0.5
± 0.3
RUN3425
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-6d9ff7d0-3_1
sdf
pdb
−0.5
± 0.1
RUN3308
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-3b97339c-3_2
sdf
pdb
−0.5
± 0.2
RUN4186
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-acd70dee-2_1
sdf
pdb
−0.5
± 0.2
RUN3180
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-c65c1026-2_1
sdf
pdb
−0.5
± 0.2
RUN2321
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-f702bf1c-7_1
sdf
pdb
−0.5
± 0.3
RUN529
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-4_3
sdf
pdb
−0.5
± 0.4
RUN1465
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-ce760d3f-7_1
sdf
pdb
−0.5
± 0.4
RUN696
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-3_2
sdf
pdb
−0.5
± 0.1
RUN1043
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-25_6
sdf
pdb
−0.5
± 0.4
RUN4472
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1b5395f9-5_2
sdf
pdb
−0.5
± 0.2
RUN1365
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-50_2
sdf
pdb
−0.5
± 0.5
RUN36
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-ce40166b-2_1
sdf
pdb
−0.5
± 0.1
RUN619
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-706446eb-4_1
sdf
pdb
−0.4
± 0.3
RUN2817
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ee07cf00-7_2
sdf
pdb
−0.4
± 0.2
RUN1720
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-38_2
sdf
pdb
−0.4
± 0.4
RUN4602
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-61f37a1a-8_2
sdf
pdb
−0.4
± 0.2
RUN4222
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-923a35c2-4_1
sdf
pdb
−0.45
± 0.07
RUN1737
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-52_1
sdf
pdb
−0.4
± 0.4
RUN3830
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-841e0cf0-2_1
sdf
pdb
−0.4
± 0.2
RUN2682
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-18_1
sdf
pdb
−0.4
± 0.2
RUN132
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-7be94445-1_1
sdf
pdb
−0.4
± 0.1
RUN1471
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-971238d3-6_1
sdf
pdb
−0.4
± 0.3
RUN1341
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-35_2
sdf
pdb
−0.4
± 0.3
RUN4665
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-f792ef5d-1_1
sdf
pdb
−0.4
± 0.3
RUN1223
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-966f8da6-1_4
sdf
pdb
−0.4
± 0.3
RUN4868
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-67d5babe-1_3
sdf
pdb
−0.4
± 0.2
RUN1634
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-74_4
sdf
pdb
−0.4
± 0.5
RUN3997
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-7_1
sdf
pdb
−0.4
± 0.3
RUN628
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-34f3ed0c-3_1
sdf
pdb
−0.4
± 0.3
RUN3307
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-3b97339c-3_1
sdf
pdb
−0.4
± 0.2
RUN631
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-34f3ed0c-11_1
sdf
pdb
−0.4
± 0.4
RUN3851
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-5d7c542f-1_1
sdf
pdb
−0.4
± 0.1
RUN1400
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-076fb6ea-8_1
sdf
pdb
−0.4
± 0.2
RUN3771
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-18_2
sdf
pdb
−0.4
± 0.1
RUN4245
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-1_30
sdf
pdb
−0.4
± 0.1
RUN3259
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-25b9c114-1_1
sdf
pdb
−0.4
± 0.3
RUN3069
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-f37eaa14-8_2
sdf
pdb
−0.4
± 0.2
RUN4147
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-34_2
sdf
pdb
−0.4
± 0.1
RUN3456
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-15e90dfc-7_1
sdf
pdb
−0.4
± 0.2
RUN2037
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-16_2
sdf
pdb
−0.4
± 0.3
RUN551
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-12_1
sdf
pdb
−0.4
± 0.3
RUN2715
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-25_3
sdf
pdb
−0.4
± 0.3
RUN4068
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-14_3
sdf
pdb
−0.4
± 0.2
RUN1303
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-14_4
sdf
pdb
−0.4
± 0.3
RUN849
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-31_16
sdf
pdb
−0.4
± 0.3
RUN2319
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-83c3754c-2_1
sdf
pdb
−0.4
± 0.2
RUN586
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-bcd487e9-1_1
sdf
pdb
−0.4
± 0.3
RUN3020
PET-UNK-29afea89-2_1
sdf
pdb
WIL-UCB-7ba4ac3a-3_1
sdf
pdb
−0.4
± 0.3
RUN4497
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-10fcb19e-1_2
sdf
pdb
−0.4
± 0.3
RUN435
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-644c43c7-2_1
sdf
pdb
−0.4
± 0.4
RUN2781
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-dbbfd3db-13_1
sdf
pdb
−0.42
± 0.08
RUN4284
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-2_37
sdf
pdb
−0.4
± 0.1
RUN2364
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-5d232de5-3_1
sdf
pdb
−0.4
± 0.5
RUN4726
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-c82a5324-1_7
sdf
pdb
−0.4
± 0.2
RUN1325
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-15_1
sdf
pdb
−0.4
± 0.3
RUN727
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-83e0a0b4-1_1
sdf
pdb
−0.4
± 0.4
RUN3143
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-37aac4bd-3_1
sdf
pdb
−0.4
± 0.2
RUN2629
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-4_4
sdf
pdb
−0.4
± 0.3
RUN335
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-6a508060-2_2
sdf
pdb
−0.4
± 0.6
RUN2436
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-6_1
sdf
pdb
−0.4
± 0.5
RUN4534
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-139368ae-1_3
sdf
pdb
−0.4
± 0.2
RUN1067
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-29_6
sdf
pdb
−0.4
± 0.4
RUN1327
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-23_1
sdf
pdb
−0.4
± 0.3
RUN3199
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-f893e2a1-4_2
sdf
pdb
−0.4
± 0.2
RUN1060
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-28_7
sdf
pdb
−0.4
± 0.6
RUN4901
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-2_2
sdf
pdb
−0.4
± 0.2
RUN1922
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-3fc3434e-10_1
sdf
pdb
−0.4
± 0.5
RUN4044
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-11_14
sdf
pdb
−0.4
± 0.2
Last updated 2021-06-04T18:13:56.580002+00:00
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