COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 501 through 600 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN928
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-5_8
sdf
pdb
−1.9
± 0.3
RUN420
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-23e5a6a0-10_1
sdf
pdb
−1.9
± 0.2
RUN2470
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-0676e700-25_1
sdf
pdb
−1.9
± 0.4
RUN692
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-2_7
sdf
pdb
−1.9
± 0.2
RUN581
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-a5c7d7cb-2_1
sdf
pdb
−1.9
± 0.4
RUN2672
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-14_7
sdf
pdb
−1.9
± 0.5
RUN3431
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-6d9ff7d0-7_1
sdf
pdb
−1.9
± 0.1
RUN52
PET-UNK-29afea89-2_1
sdf
pdb
MAR-TRE-04c86cea-39_1
sdf
pdb
−1.9
± 0.2
RUN3625
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-3ccb8ef6-1_1
sdf
pdb
−1.9
± 0.2
RUN2363
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-5d232de5-1_1
sdf
pdb
−1.9
± 0.4
RUN4465
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1b5395f9-3_1
sdf
pdb
−1.9
± 0.3
RUN466
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-91acba05-1_1
sdf
pdb
−1.9
± 0.3
RUN635
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-34f3ed0c-5_1
sdf
pdb
−1.9
± 0.3
RUN852
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_4
sdf
pdb
−1.9
± 0.2
RUN2599
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d203f206-37_1
sdf
pdb
−1.9
± 0.3
RUN1
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-23aa0b97-19_1
sdf
pdb
−1.9
± 0.2
RUN1541
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-11_1
sdf
pdb
−1.9
± 0.3
RUN460
PET-UNK-29afea89-2_1
sdf
pdb
NIR-WEI-acbd6416-2_2
sdf
pdb
−1.9
± 0.3
RUN1288
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-11_2
sdf
pdb
−1.9
± 0.5
RUN2091
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-9_1
sdf
pdb
−1.9
± 0.5
RUN1248
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-1_2
sdf
pdb
−1.9
± 0.3
RUN2262
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-9_2
sdf
pdb
−1.9
± 0.4
RUN1518
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-56cf811e-1_1
sdf
pdb
−1.9
± 0.3
RUN549
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-12_2
sdf
pdb
−1.9
± 0.3
RUN398
PET-UNK-29afea89-2_1
sdf
pdb
FRA-DIA-b66f7109-3_2
sdf
pdb
−1.9
± 0.3
RUN202
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-13_2
sdf
pdb
−1.9
± 0.2
RUN2209
PET-UNK-29afea89-2_1
sdf
pdb
LEE-CAM-7ab9b158-4_1
sdf
pdb
−1.9
± 0.3
RUN3052
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-b3e6b0c2-18_1
sdf
pdb
−1.9
± 0.3
RUN470
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-91acba05-2_2
sdf
pdb
−1.9
± 0.4
RUN3292
PET-UNK-29afea89-2_1
sdf
pdb
MIK-ENA-fc9ceda2-1_1
sdf
pdb
−1.9
± 0.1
RUN461
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-44c99a80-3_1
sdf
pdb
−1.9
± 0.3
RUN2554
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-40433386-1_1
sdf
pdb
−1.9
± 0.4
RUN680
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-50cce87d-12_2
sdf
pdb
−1.9
± 0.1
RUN622
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-706446eb-7_1
sdf
pdb
−1.9
± 0.3
RUN881
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_31
sdf
pdb
−1.9
± 0.4
RUN3491
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-a13804f0-4_2
sdf
pdb
−1.9
± 0.2
RUN369
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-8a69d52e-4_4
sdf
pdb
−1.9
± 0.3
RUN439
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-644c43c7-4_1
sdf
pdb
−1.9
± 0.4
RUN69
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-b5746674-35_1
sdf
pdb
−1.9
± 0.2
RUN3952
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e6dd326d-7_2
sdf
pdb
−1.9
± 0.4
RUN794
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-12_5
sdf
pdb
−1.9
± 0.2
RUN2207
PET-UNK-29afea89-2_1
sdf
pdb
LEE-CAM-7ab9b158-2_1
sdf
pdb
−1.9
± 0.4
RUN2424
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-2_2
sdf
pdb
−1.9
± 0.4
RUN375
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-8a69d52e-7_1
sdf
pdb
−1.9
± 0.3
RUN2156
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fce787c2-9_1
sdf
pdb
−1.9
± 0.4
RUN2340
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d08626de-1_1
sdf
pdb
−1.8
± 0.4
RUN304
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-afd4d4fd-2_1
sdf
pdb
−1.8
± 0.3
RUN2593
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d203f206-32_1
sdf
pdb
−1.8
± 0.5
RUN4200
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5d22d78d-1_1
sdf
pdb
−1.84
± 0.09
RUN3085
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-9a7dc93f-5_1
sdf
pdb
−1.8
± 0.5
RUN44
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-ce40166b-7_1
sdf
pdb
−1.8
± 0.3
RUN2606
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-6864a934-2_1
sdf
pdb
−1.8
± 0.4
RUN600
PET-UNK-29afea89-2_1
sdf
pdb
ADA-UCB-dc2b944c-4_1
sdf
pdb
−1.8
± 0.4
RUN580
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-a5c7d7cb-5_2
sdf
pdb
−1.8
± 0.2
RUN2250
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-5_2
sdf
pdb
−1.8
± 0.4
RUN1115
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-2fed8305-9_1
sdf
pdb
−1.8
± 0.2
RUN2277
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-1f3f1a6f-2_1
sdf
pdb
−1.8
± 0.4
RUN697
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-4_4
sdf
pdb
−1.8
± 0.3
RUN2252
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-8_2
sdf
pdb
−1.8
± 0.4
RUN1508
PET-UNK-29afea89-2_1
sdf
pdb
LAU-MED-88a3970a-12_1
sdf
pdb
−1.8
± 0.2
RUN615
PET-UNK-29afea89-2_1
sdf
pdb
ADA-UCB-dc2b944c-17_1
sdf
pdb
−1.8
± 0.3
RUN2326
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-e0fe77e5-10_1
sdf
pdb
−1.8
± 0.4
RUN2467
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-0676e700-20_1
sdf
pdb
−1.8
± 0.4
RUN2286
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-80f122c8-2_2
sdf
pdb
−1.8
± 0.3
RUN1111
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-2fed8305-5_1
sdf
pdb
−1.8
± 0.2
RUN893
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-1_5
sdf
pdb
−1.8
± 0.3
RUN582
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-a5c7d7cb-2_2
sdf
pdb
−1.8
± 0.3
RUN2193
PET-UNK-29afea89-2_1
sdf
pdb
CHO-MSK-a31cca77-2_1
sdf
pdb
−1.8
± 0.3
RUN1550
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-21_1
sdf
pdb
−1.8
± 0.1
RUN2688
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-17_1
sdf
pdb
−1.8
± 0.2
RUN707
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-7_1
sdf
pdb
−1.8
± 0.3
RUN2367
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-5d232de5-5_1
sdf
pdb
−1.8
± 0.4
RUN2566
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d203f206-4_1
sdf
pdb
−1.8
± 0.6
RUN2409
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-1_3
sdf
pdb
−1.8
± 0.4
RUN330
PET-UNK-29afea89-2_1
sdf
pdb
MAR-UCB-f313ec4d-6_1
sdf
pdb
−1.8
± 0.5
RUN595
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-bcd487e9-7_1
sdf
pdb
−1.8
± 0.3
RUN2237
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-2_4
sdf
pdb
−1.8
± 0.2
RUN2279
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-1f3f1a6f-5_1
sdf
pdb
−1.8
± 0.4
RUN100
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-2492181e-7_1
sdf
pdb
−1.8
± 0.1
RUN250
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-58_1
sdf
pdb
−1.8
± 0.2
RUN3545
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-c3ef0aba-2_1
sdf
pdb
−1.8
± 0.1
RUN2534
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-15_4
sdf
pdb
−1.8
± 0.4
RUN579
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-a5c7d7cb-5_1
sdf
pdb
−1.8
± 0.4
RUN2074
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-35_1
sdf
pdb
−1.8
± 0.4
RUN2601
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d203f206-39_1
sdf
pdb
−1.8
± 0.4
RUN3447
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-15e90dfc-6_2
sdf
pdb
−1.8
± 0.1
RUN4699
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1981ceba-5_3
sdf
pdb
−1.8
± 0.3
RUN1026
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-22_5
sdf
pdb
−1.8
± 0.3
RUN3690
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-8_1
sdf
pdb
−1.8
± 0.1
RUN106
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-3b92565d-1_1
sdf
pdb
−1.8
± 0.2
RUN3247
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-b9827f26-2_1
sdf
pdb
−1.8
± 0.1
RUN2334
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-2f867453-1_1
sdf
pdb
−1.8
± 0.5
RUN1084
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-33_5
sdf
pdb
−1.8
± 0.3
RUN974
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-16_1
sdf
pdb
−1.8
± 0.2
RUN1425
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-13_1
sdf
pdb
−1.8
± 0.2
RUN333
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-6a508060-1_2
sdf
pdb
−1.8
± 0.5
RUN1291
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-12_1
sdf
pdb
−1.8
± 0.3
RUN2422
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-2_1
sdf
pdb
−1.8
± 0.4
RUN1041
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-25_4
sdf
pdb
−1.8
± 0.3
RUN3427
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-6d9ff7d0-1_1
sdf
pdb
−1.8
± 0.2
Last updated 2021-06-04T18:13:56.580002+00:00
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