COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 201 through 300 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN630
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-34f3ed0c-6_1
sdf
pdb
−2.8
± 0.2
RUN572
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-21_4
sdf
pdb
−2.8
± 0.2
RUN2236
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-2_3
sdf
pdb
−2.8
± 0.3
RUN2958
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-5_14
sdf
pdb
−2.8
± 0.2
RUN523
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-3_1
sdf
pdb
−2.8
± 0.3
RUN2324
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-e0fe77e5-4_1
sdf
pdb
−2.8
± 0.2
RUN1441
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-15_1
sdf
pdb
−2.8
± 0.3
RUN221
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-29_1
sdf
pdb
−2.8
± 0.2
RUN769
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-7_2
sdf
pdb
−2.8
± 0.2
RUN839
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-31_6
sdf
pdb
−2.8
± 0.2
RUN34
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-af038623-3_1
sdf
pdb
−2.7
± 0.3
RUN709
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-9_1
sdf
pdb
−2.7
± 0.3
RUN48
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-ce40166b-10_1
sdf
pdb
−2.7
± 0.2
RUN1510
PET-UNK-29afea89-2_1
sdf
pdb
LAU-MED-88a3970a-14_1
sdf
pdb
−2.7
± 0.2
RUN4118
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-26_2
sdf
pdb
−2.7
± 0.2
RUN2085
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-2_1
sdf
pdb
−2.7
± 0.4
RUN1219
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-966f8da6-1_2
sdf
pdb
−2.7
± 0.3
RUN15
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0cde14eb-50_1
sdf
pdb
−2.7
± 0.2
RUN484
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-919546f0-4_1
sdf
pdb
−2.7
± 0.3
RUN621
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-706446eb-1_1
sdf
pdb
−2.7
± 0.4
RUN331
PET-UNK-29afea89-2_1
sdf
pdb
MAR-UCB-f313ec4d-3_1
sdf
pdb
−2.7
± 0.3
RUN43
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-ce40166b-6_2
sdf
pdb
−2.7
± 0.2
RUN197
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-7_1
sdf
pdb
−2.7
± 0.2
RUN2331
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e69ad64a-1_2
sdf
pdb
−2.7
± 0.4
RUN262
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-9582b2c5-2_1
sdf
pdb
−2.7
± 0.5
RUN958
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-15_3
sdf
pdb
−2.7
± 0.2
RUN652
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-28ec730d-3_1
sdf
pdb
−2.7
± 0.3
RUN315
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-05e51b3f-1_1
sdf
pdb
−2.7
± 0.3
RUN3451
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-e002e396-1_1
sdf
pdb
−2.7
± 0.2
RUN2377
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-2da19ca7-3_1
sdf
pdb
−2.7
± 0.3
RUN3711
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-22_1
sdf
pdb
−2.7
± 0.1
RUN1504
PET-UNK-29afea89-2_1
sdf
pdb
LAU-MED-88a3970a-8_1
sdf
pdb
−2.7
± 0.2
RUN3944
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e6dd326d-4_2
sdf
pdb
−2.7
± 0.1
RUN377
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-50011917-3_1
sdf
pdb
−2.7
± 0.3
RUN142
PET-UNK-29afea89-2_1
sdf
pdb
NIR-WEI-f9286bb6-4_2
sdf
pdb
−2.6
± 0.1
RUN236
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-47_1
sdf
pdb
−2.6
± 0.3
RUN201
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-13_1
sdf
pdb
−2.6
± 0.4
RUN1379
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-5ff57136-11_1
sdf
pdb
−2.6
± 0.2
RUN571
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-21_3
sdf
pdb
−2.6
± 0.3
RUN2721
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-26_2
sdf
pdb
−2.6
± 0.2
RUN2427
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-2_6
sdf
pdb
−2.6
± 0.4
RUN2795
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-ced740bd-4_1
sdf
pdb
−2.6
± 0.1
RUN3694
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-13_1
sdf
pdb
−2.6
± 0.1
RUN3840
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-841e0cf0-6_1
sdf
pdb
−2.6
± 0.1
RUN483
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-919546f0-2_2
sdf
pdb
−2.6
± 0.2
RUN1566
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-35_1
sdf
pdb
−2.6
± 0.4
RUN3858
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-5d7c542f-5_1
sdf
pdb
−2.6
± 0.1
RUN862
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_13
sdf
pdb
−2.6
± 0.2
RUN2357
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-5b152d2f-2_1
sdf
pdb
−2.6
± 0.3
RUN260
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-60_1
sdf
pdb
−2.6
± 0.5
RUN2927
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-2_6
sdf
pdb
−2.6
± 0.2
RUN1077
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-31_8
sdf
pdb
−2.6
± 0.3
RUN3834
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-841e0cf0-4_2
sdf
pdb
−2.6
± 0.2
RUN436
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-1d44ff04-2_1
sdf
pdb
−2.6
± 0.2
RUN3411
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-f6ee7aeb-4_1
sdf
pdb
−2.6
± 0.2
RUN750
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-3_11
sdf
pdb
−2.6
± 0.2
RUN1050
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-26_5
sdf
pdb
−2.6
± 0.3
RUN546
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-10_2
sdf
pdb
−2.6
± 0.3
RUN429
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-c5865d42-2_2
sdf
pdb
−2.5
± 0.3
RUN2956
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-5_10
sdf
pdb
−2.5
± 0.3
RUN123
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-c9c1e0d8-4_2
sdf
pdb
−2.5
± 0.3
RUN2275
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-1f3f1a6f-1_2
sdf
pdb
−2.5
± 0.3
RUN2314
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-f702bf1c-4_2
sdf
pdb
−2.5
± 0.4
RUN266
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-9582b2c5-2_5
sdf
pdb
−2.5
± 0.3
RUN597
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-bcd487e9-9_1
sdf
pdb
−2.5
± 0.2
RUN126
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-c314995a-1_1
sdf
pdb
−2.5
± 0.3
RUN1095
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-d6de1f3c-5_1
sdf
pdb
−2.5
± 0.3
RUN654
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-7b680c2b-1_1
sdf
pdb
−2.5
± 0.3
RUN1261
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-4_3
sdf
pdb
−2.5
± 0.2
RUN1458
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-ce760d3f-6_1
sdf
pdb
−2.5
± 0.3
RUN288
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-e4b030d8-6_1
sdf
pdb
−2.5
± 0.2
RUN2663
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-13_2
sdf
pdb
−2.5
± 0.3
RUN2380
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-2da19ca7-6_1
sdf
pdb
−2.5
± 0.3
RUN644
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-02c6a514-32_1
sdf
pdb
−2.5
± 0.3
RUN1232
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-4aa06b95-3_1
sdf
pdb
−2.5
± 0.3
RUN2665
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-13_4
sdf
pdb
−2.5
± 0.5
RUN2520
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-6_1
sdf
pdb
−2.5
± 0.4
RUN2293
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-80f122c8-3_5
sdf
pdb
−2.5
± 0.3
RUN904
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-2_8
sdf
pdb
−2.5
± 0.4
RUN3319
PET-UNK-29afea89-2_1
sdf
pdb
NIR-THE-af15c15d-1_1
sdf
pdb
−2.5
± 0.2
RUN507
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-8be7dca9-8_1
sdf
pdb
−2.5
± 0.3
RUN131
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-c66144cb-2_2
sdf
pdb
−2.5
± 0.3
RUN115
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-3b92565d-8_1
sdf
pdb
−2.5
± 0.4
RUN2453
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-0676e700-10_1
sdf
pdb
−2.5
± 0.4
RUN190
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-f7918075-1_2
sdf
pdb
−2.5
± 0.2
RUN1546
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-16_2
sdf
pdb
−2.5
± 0.2
RUN2289
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-80f122c8-3_3
sdf
pdb
−2.5
± 0.4
RUN11
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0cde14eb-47_1
sdf
pdb
−2.5
± 0.2
RUN4177
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-b00e3cbf-1_1
sdf
pdb
−2.5
± 0.2
RUN1403
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-076fb6ea-3_1
sdf
pdb
−2.4
± 0.2
RUN336
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-6a508060-3_1
sdf
pdb
−2.4
± 0.3
RUN2243
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-3_1
sdf
pdb
−2.4
± 0.3
RUN2392
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-2da19ca7-7_8
sdf
pdb
−2.4
± 0.3
RUN305
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-afd4d4fd-3_1
sdf
pdb
−2.4
± 0.3
RUN538
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-8_2
sdf
pdb
−2.4
± 0.3
RUN503
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-8be7dca9-7_1
sdf
pdb
−2.4
± 0.2
RUN2499
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-1_1
sdf
pdb
−2.4
± 0.5
RUN206
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-15_1
sdf
pdb
−2.4
± 0.2
RUN2155
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fce787c2-8_2
sdf
pdb
−2.4
± 0.3
RUN537
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-8_4
sdf
pdb
−2.4
± 0.3
Last updated 2021-06-04T18:13:56.580002+00:00
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