COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 6001 through 6100 of 7687
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN6958
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-238405_2_2_1
sdf
pdb
1.0
± 0.3
RUN1349
MAT-POS-b3e365b9-1_1
sdf
pdb
LAU-MED-88a3970a-18_1
sdf
pdb
1.0
± 0.3
RUN2662
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-341337_2_3_1
sdf
pdb
1.0
± 0.3
RUN5770
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-23214_1_2_1
sdf
pdb
1.0
± 0.3
RUN3687
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-197715_1_1_1
sdf
pdb
1.0
± 0.5
RUN979
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-25_8
sdf
pdb
1.0
± 0.4
RUN6005
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-1587691_2_2_1
sdf
pdb
1.0
± 0.3
RUN6137
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-21200_2_1_1
sdf
pdb
1.1
± 0.4
RUN1816
MAT-POS-b3e365b9-1_1
sdf
pdb
ALP-UNI-3735e77e-2_2
sdf
pdb
1.1
± 0.2
RUN7149
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-7431964_1_1_1
sdf
pdb
1.1
± 0.3
RUN4527
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-297561_2_1_1
sdf
pdb
1.1
± 0.3
RUN6006
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-148421_3_1_1
sdf
pdb
1.1
± 0.4
RUN462
MAT-POS-b3e365b9-1_1
sdf
pdb
MIC-UNK-cdc2493e-4_2
sdf
pdb
1.1
± 0.4
RUN777
MAT-POS-b3e365b9-1_1
sdf
pdb
DAR-DIA-0d514e7d-33_1
sdf
pdb
1.1
± 0.3
RUN4137
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-248888_2_2_1
sdf
pdb
1.1
± 0.2
RUN7137
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-60049_2_3_1
sdf
pdb
1.1
± 0.4
RUN1859
MAT-POS-b3e365b9-1_1
sdf
pdb
RAL-THA-05e671eb-4_1
sdf
pdb
1.06
± 0.05
RUN580
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-ffc90da7-2_6
sdf
pdb
1.1
± 0.3
RUN5413
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-181688_2_1_1
sdf
pdb
1.1
± 0.2
RUN1734
MAT-POS-b3e365b9-1_1
sdf
pdb
MAT-POS-281d2ee9-1_1
sdf
pdb
1.1
± 0.4
RUN4043
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-217494_4_4_1
sdf
pdb
1.1
± 0.4
RUN13
MAT-POS-b3e365b9-1_1
sdf
pdb
DAR-DIA-0cde14eb-59_1
sdf
pdb
1.1
± 0.3
RUN386
MAT-POS-b3e365b9-1_1
sdf
pdb
DAR-DIA-23e5a6a0-7_1
sdf
pdb
1.1
± 0.3
RUN273
MAT-POS-b3e365b9-1_1
sdf
pdb
VLA-UCB-05e51b3f-17_1
sdf
pdb
1.1
± 0.3
RUN2296
MAT-POS-b3e365b9-1_1
sdf
pdb
DAR-DIA-e7614d05-3_1
sdf
pdb
1.1
± 0.3
RUN1581
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-90036822-22_1
sdf
pdb
1.1
± 0.5
RUN535
MAT-POS-b3e365b9-1_1
sdf
pdb
MIC-UNK-cdc2493e-15_1
sdf
pdb
1.1
± 0.3
RUN2006
MAT-POS-b3e365b9-1_1
sdf
pdb
KAD-UNI-8a629cb0-46_1
sdf
pdb
1.1
± 0.3
RUN7543
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-22245_2_1_1
sdf
pdb
1.1
± 0.2
RUN6013
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-7349829_2_1_1
sdf
pdb
1.1
± 0.3
RUN7800
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-201164_2_2_1
sdf
pdb
1.1
± 0.3
RUN1088
MAT-POS-b3e365b9-1_1
sdf
pdb
BEN-DND-c852c98b-3_1
sdf
pdb
1.07
± 0.08
RUN3816
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-66845_1_2_1
sdf
pdb
1.1
± 0.3
RUN1885
MAT-POS-b3e365b9-1_1
sdf
pdb
RAL-THA-05e671eb-26_1
sdf
pdb
1.1
± 0.3
RUN7370
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-7443527_1_4_1
sdf
pdb
1.1
± 0.4
RUN5970
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-1073264_2_1_1
sdf
pdb
1.1
± 0.3
RUN7397
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-1265949_2_1_1
sdf
pdb
1.1
± 0.3
RUN6981
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-266299_1_1_1
sdf
pdb
1.1
± 0.2
RUN2184
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-5d232de5-6_2
sdf
pdb
1.1
± 0.3
RUN6098
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-305282_2_1_1
sdf
pdb
1.1
± 0.4
RUN850
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-4_6
sdf
pdb
1.1
± 0.3
RUN1805
MAT-POS-b3e365b9-1_1
sdf
pdb
RAL-THA-2d450e86-26_1
sdf
pdb
1.1
± 0.3
RUN1626
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-90036822-58_1
sdf
pdb
1.1
± 0.4
RUN7295
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-108407_2_2_1
sdf
pdb
1.1
± 0.3
RUN2443
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-ba1ac7b9-7_2
sdf
pdb
1.1
± 0.3
RUN629
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-ffc90da7-5_2
sdf
pdb
1.1
± 0.4
RUN1504
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-90036822-11_1
sdf
pdb
1.1
± 0.2
RUN7666
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-78135_2_1_1
sdf
pdb
1.1
± 0.2
RUN1460
MAT-POS-b3e365b9-1_1
sdf
pdb
ED_-GRI-5b13fbe2-48_1
sdf
pdb
1.1
± 0.5
RUN931
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-26_1
sdf
pdb
1.1
± 0.3
RUN2718
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-77438_2_2_1
sdf
pdb
1.1
± 0.3
RUN3329
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-132615_1_2_1
sdf
pdb
1.1
± 0.3
RUN1387
MAT-POS-b3e365b9-1_1
sdf
pdb
ED_-GRI-5b13fbe2-13_1
sdf
pdb
1.1
± 0.3
RUN6199
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-6505003_4_4_1
sdf
pdb
1.1
± 0.4
RUN6153
MAT-POS-b3e365b9-1_1
sdf
pdb
DAR-DIA-23e5a6a0-6_2_1
sdf
pdb
1.1
± 0.3
RUN6432
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-209048_2_2_1
sdf
pdb
1.1
± 0.2
RUN2516
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-ba1ac7b9-18_4
sdf
pdb
1.1
± 0.3
RUN4879
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-96797_1_2_1
sdf
pdb
1.1
± 0.3
RUN1147
MAT-POS-b3e365b9-1_1
sdf
pdb
RAL-THA-4aa06b95-7_3
sdf
pdb
1.1
± 0.3
RUN6477
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-343433_2_1_1
sdf
pdb
1.1
± 0.3
RUN1366
MAT-POS-b3e365b9-1_1
sdf
pdb
DAR-DIA-9e4459de-15_16
sdf
pdb
1.1
± 0.7
RUN6571
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-30480_2_1_1
sdf
pdb
1.1
± 0.3
RUN2394
MAT-POS-b3e365b9-1_1
sdf
pdb
ALP-UNI-3496895b-6_1
sdf
pdb
1.1
± 0.3
RUN1426
MAT-POS-b3e365b9-1_1
sdf
pdb
ED_-GRI-5b13fbe2-42_1
sdf
pdb
1.1
± 0.6
RUN1798
MAT-POS-b3e365b9-1_1
sdf
pdb
ALP-POS-869ac754-2_2
sdf
pdb
1.1
± 0.3
RUN6281
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-75674_2_1_1
sdf
pdb
1.1
± 0.2
RUN1488
MAT-POS-b3e365b9-1_1
sdf
pdb
ED_-GRI-5b13fbe2-36_1
sdf
pdb
1.1
± 0.4
RUN621
MAT-POS-b3e365b9-1_1
sdf
pdb
JAG-UCB-7b680c2b-1_1
sdf
pdb
1.1
± 0.3
RUN7285
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-254840_1_4_1
sdf
pdb
1.1
± 0.5
RUN1296
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-971238d3-11_1
sdf
pdb
1.1
± 0.2
RUN4052
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-208236_2_1_1
sdf
pdb
1.1
± 0.3
RUN6569
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-1448603_2_1_1
sdf
pdb
1.1
± 0.4
RUN1124
MAT-POS-b3e365b9-1_1
sdf
pdb
RAL-THA-8416115c-2_4
sdf
pdb
1.1
± 0.2
RUN2197
MAT-POS-b3e365b9-1_1
sdf
pdb
ALF-EVA-5b152d2f-8_1
sdf
pdb
1.13
± 0.08
RUN4962
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-10334_2_1_1
sdf
pdb
1.1
± 0.2
RUN6655
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-80940_1_3_1
sdf
pdb
1.1
± 0.3
RUN5463
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-148421_4_2_1
sdf
pdb
1.1
± 0.4
RUN1172
MAT-POS-b3e365b9-1_1
sdf
pdb
RAL-THA-8416115c-14_4
sdf
pdb
1.1
± 0.4
RUN6715
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-23648_2_1_1
sdf
pdb
1.1
± 0.3
RUN7344
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-248178_2_1_1
sdf
pdb
1.1
± 0.2
RUN6294
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-393300_2_1_1
sdf
pdb
1.1
± 0.3
RUN1355
MAT-POS-b3e365b9-1_1
sdf
pdb
LAU-MED-88a3970a-9_1
sdf
pdb
1.1
± 0.2
RUN2123
MAT-POS-b3e365b9-1_1
sdf
pdb
VLA-UNK-f702bf1c-8_1
sdf
pdb
1.1
± 0.3
RUN7791
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-28871_2_1_1
sdf
pdb
1.1
± 0.2
RUN5869
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-226314_2_2_1
sdf
pdb
1.1
± 0.3
RUN387
MAT-POS-b3e365b9-1_1
sdf
pdb
MIC-UNK-91acba05-6_3
sdf
pdb
1.2
± 0.2
RUN505
MAT-POS-b3e365b9-1_1
sdf
pdb
MIC-UNK-cdc2493e-10_2
sdf
pdb
1.2
± 0.4
RUN2502
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-ba1ac7b9-13_3
sdf
pdb
1.2
± 0.3
RUN1005
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-25_5
sdf
pdb
1.2
± 0.4
RUN4140
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-746187_1_2_1
sdf
pdb
1.2
± 0.9
RUN3123
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-114133_1_1_1
sdf
pdb
1.2
± 0.4
RUN1749
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-90036822-109_1
sdf
pdb
1.2
± 0.3
RUN7428
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-87527_1_1_1
sdf
pdb
1.2
± 0.3
RUN617
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-ffc90da7-9_1
sdf
pdb
1.2
± 0.3
RUN7650
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-97453_1_1_1
sdf
pdb
1.2
± 0.4
RUN2488
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-ba1ac7b9-6_1
sdf
pdb
1.2
± 0.3
RUN1101
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-29_7
sdf
pdb
1.2
± 0.4
RUN842
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-12_4
sdf
pdb
1.2
± 0.3
RUN6048
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-6499531_2_2_1
sdf
pdb
1.2
± 0.4
RUN748
MAT-POS-b3e365b9-1_1
sdf
pdb
DAR-DIA-0d514e7d-31_3
sdf
pdb
1.2
± 0.2
Last updated 2021-02-17T18:02:40.003401+00:00
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