COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 1801 through 1900 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN883
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-33_2
sdf
pdb
−0.3
± 0.3
RUN3413
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-f6ee7aeb-4_2
sdf
pdb
−0.3
± 0.2
RUN617
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-706446eb-3_1
sdf
pdb
−0.3
± 0.3
RUN1671
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-12_1
sdf
pdb
−0.3
± 0.4
RUN988
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-16_15
sdf
pdb
−0.3
± 0.5
RUN2543
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-fcba3f31-7_1
sdf
pdb
−0.3
± 0.5
RUN1715
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-41_1
sdf
pdb
−0.3
± 0.7
RUN3450
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-15e90dfc-6_4
sdf
pdb
−0.3
± 0.2
RUN3734
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-7_2
sdf
pdb
−0.3
± 0.2
RUN2387
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-2da19ca7-7_6
sdf
pdb
−0.3
± 0.6
RUN4994
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1320d94d-23_1
sdf
pdb
−0.3
± 0.3
RUN894
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-1_6
sdf
pdb
−0.3
± 0.3
RUN3157
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-b9c208fe-1_1
sdf
pdb
−0.3
± 0.1
RUN256
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-9582b2c5-1_3
sdf
pdb
−0.3
± 0.4
RUN514
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-8be7dca9-10_4
sdf
pdb
−0.3
± 0.3
RUN4296
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-3_5
sdf
pdb
−0.3
± 0.3
RUN1824
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-96_2
sdf
pdb
−0.3
± 0.4
RUN267
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-9582b2c5-2_6
sdf
pdb
−0.3
± 0.2
RUN3082
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-9a7dc93f-1_1
sdf
pdb
−0.3
± 0.2
RUN2399
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-f9802937-6_1
sdf
pdb
−0.3
± 0.3
RUN1564
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-29_1
sdf
pdb
−0.3
± 0.5
RUN1215
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-eff36d94-1_1
sdf
pdb
−0.3
± 0.2
RUN3507
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-0a05c952-2_3
sdf
pdb
−0.3
± 0.1
RUN1843
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-106_1
sdf
pdb
−0.3
± 0.5
RUN2139
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-47_1
sdf
pdb
−0.3
± 0.5
RUN3765
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-19_1
sdf
pdb
−0.3
± 0.2
RUN1397
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-076fb6ea-1_1
sdf
pdb
−0.3
± 0.4
RUN3676
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-d58dbb53-1_1
sdf
pdb
−0.3
± 0.2
RUN5061
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-06e5f114-2_1
sdf
pdb
−0.3
± 0.2
RUN4433
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-9b23ef84-7_1
sdf
pdb
−0.3
± 0.2
RUN2254
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-7_2
sdf
pdb
−0.3
± 0.3
RUN1118
PET-UNK-29afea89-2_1
sdf
pdb
JOH-SUS-a69c159d-2_1
sdf
pdb
−0.3
± 0.2
RUN234
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-44_1
sdf
pdb
−0.3
± 0.1
RUN3986
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-4_1
sdf
pdb
−0.3
± 0.2
RUN1304
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-45817b9b-1_2
sdf
pdb
−0.3
± 0.5
RUN1526
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-1_1
sdf
pdb
−0.3
± 0.5
RUN5033
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-ab76d8f6-1_1
sdf
pdb
−0.3
± 0.2
RUN4235
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-d9de6a0b-2_1
sdf
pdb
−0.3
± 0.2
RUN3186
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-c65c1026-5_1
sdf
pdb
−0.3
± 0.2
RUN722
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-83e0a0b4-3_2
sdf
pdb
−0.3
± 0.3
RUN871
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_22
sdf
pdb
−0.3
± 0.1
RUN2691
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-19_2
sdf
pdb
−0.3
± 0.3
RUN3300
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-3b97339c-1_4
sdf
pdb
−0.2
± 0.2
RUN2278
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-1f3f1a6f-2_2
sdf
pdb
−0.2
± 0.3
RUN3098
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-689df078-2_1
sdf
pdb
−0.2
± 0.3
RUN3325
PET-UNK-29afea89-2_1
sdf
pdb
NIR-THE-47736cde-1_1
sdf
pdb
−0.2
± 0.2
RUN3236
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f2f46c9-7_3
sdf
pdb
−0.2
± 0.2
RUN187
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-f7918075-1_1
sdf
pdb
−0.2
± 0.2
RUN1853
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-92e193ae-2_1
sdf
pdb
−0.2
± 0.4
RUN1574
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-40_1
sdf
pdb
−0.2
± 0.4
RUN1206
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-c852c98b-2_2
sdf
pdb
−0.2
± 0.4
RUN2351
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-9e38fd34-5_1
sdf
pdb
−0.2
± 0.4
RUN5083
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-8293a91a-4_2
sdf
pdb
−0.2
± 0.2
RUN4528
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-e6e0c683-4_1
sdf
pdb
−0.2
± 0.3
RUN4837
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-82cf4849-10_1
sdf
pdb
−0.2
± 0.2
RUN4698
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1981ceba-5_2
sdf
pdb
−0.2
± 0.3
RUN3181
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fb82b63d-4_2
sdf
pdb
−0.2
± 0.1
RUN3505
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-0a05c952-2_1
sdf
pdb
−0.2
± 0.2
RUN3956
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e6dd326d-11_1
sdf
pdb
−0.2
± 0.3
RUN2598
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d203f206-36_1
sdf
pdb
−0.2
± 0.4
RUN419
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-23e5a6a0-9_2
sdf
pdb
−0.2
± 0.2
RUN3225
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f2f46c9-4_2
sdf
pdb
−0.2
± 0.1
RUN2818
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ee07cf00-8_1
sdf
pdb
−0.2
± 0.2
RUN1568
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-34_2
sdf
pdb
−0.2
± 0.5
RUN1702
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-27_2
sdf
pdb
−0.2
± 0.6
RUN3109
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-1_1
sdf
pdb
−0.2
± 0.2
RUN553
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-12_4
sdf
pdb
−0.2
± 0.3
RUN561
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-16_1
sdf
pdb
−0.2
± 0.3
RUN42
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-ce40166b-6_1
sdf
pdb
−0.2
± 0.2
RUN963
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-15_6
sdf
pdb
−0.2
± 0.1
RUN1306
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-c5a20098-2_1
sdf
pdb
−0.2
± 0.5
RUN4549
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-139368ae-5_2
sdf
pdb
−0.2
± 0.2
RUN4183
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-21fd6073-1_2
sdf
pdb
−0.2
± 0.1
RUN3061
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-f37eaa14-4_2
sdf
pdb
−0.2
± 0.2
RUN4898
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-1_3
sdf
pdb
−0.2
± 0.2
RUN1461
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-ce760d3f-1_1
sdf
pdb
−0.2
± 0.3
RUN4711
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-dc2604c4-3_1
sdf
pdb
−0.2
± 0.2
RUN1300
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-14_2
sdf
pdb
−0.2
± 0.5
RUN1296
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-13_2
sdf
pdb
−0.2
± 0.5
RUN2086
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-1_1
sdf
pdb
−0.2
± 0.4
RUN4945
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-10_2
sdf
pdb
−0.2
± 0.3
RUN3709
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-20_3
sdf
pdb
−0.2
± 0.1
RUN3688
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-5_1
sdf
pdb
−0.2
± 0.1
RUN4300
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-3_9
sdf
pdb
−0.2
± 0.3
RUN3264
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-25b9c114-2_2
sdf
pdb
−0.2
± 0.2
RUN820
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-17_1
sdf
pdb
−0.2
± 0.4
RUN2135
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-6be260fc-4_1
sdf
pdb
−0.2
± 0.3
RUN4693
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1981ceba-4_1
sdf
pdb
−0.2
± 0.2
RUN4311
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-3_28
sdf
pdb
−0.2
± 0.3
RUN3706
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-20_2
sdf
pdb
−0.2
± 0.2
RUN751
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-3_12
sdf
pdb
−0.2
± 0.5
RUN3779
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-b13decd3-1_2
sdf
pdb
−0.19
± 0.10
RUN1495
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-12d8d43f-1_1
sdf
pdb
−0.2
± 0.3
RUN3019
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f7b7cd9-10_1
sdf
pdb
−0.2
± 0.3
RUN272
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-9582b2c5-3_4
sdf
pdb
−0.2
± 0.1
RUN2613
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-6864a934-8_1
sdf
pdb
−0.2
± 0.3
RUN690
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-1_4
sdf
pdb
−0.18
± 0.10
RUN3897
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-6e4c80cf-2_2
sdf
pdb
−0.2
± 0.2
RUN991
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-18_2
sdf
pdb
−0.2
± 0.3
RUN765
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-5_7
sdf
pdb
−0.2
± 0.3
Last updated 2021-06-04T18:13:56.580002+00:00
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