COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 2901 through 3000 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN4339
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-7587a9ee-4_2
sdf
pdb
0.7
± 0.1
RUN1709
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-36_1
sdf
pdb
0.7
± 0.5
RUN314
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-3c72d439-1_1
sdf
pdb
0.7
± 0.3
RUN4904
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-3_1
sdf
pdb
0.7
± 0.2
RUN4495
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-b9d6aec1-3_2
sdf
pdb
0.7
± 0.4
RUN3461
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-e002e396-5_1
sdf
pdb
0.7
± 0.3
RUN2630
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-4_5
sdf
pdb
0.7
± 0.4
RUN3569
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-a0a4abd7-3_1
sdf
pdb
0.7
± 0.2
RUN3204
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-f893e2a1-6_4
sdf
pdb
0.7
± 0.2
RUN4781
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-24589f88-8_1
sdf
pdb
0.7
± 0.2
RUN2932
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-2_9
sdf
pdb
0.7
± 0.6
RUN3185
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-c65c1026-4_1
sdf
pdb
0.7
± 0.3
RUN1900
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-b87f07d0-3_1
sdf
pdb
0.7
± 0.4
RUN4001
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-8_1
sdf
pdb
0.7
± 0.2
RUN723
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-1_2
sdf
pdb
0.7
± 0.2
RUN999
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-19_2
sdf
pdb
0.7
± 0.2
RUN2503
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-2_2
sdf
pdb
0.7
± 0.3
RUN59
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-3b848b35-2_1
sdf
pdb
0.7
± 0.1
RUN1954
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-c7771779-2_1
sdf
pdb
0.7
± 0.5
RUN524
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-53907a1c-3_1
sdf
pdb
0.7
± 0.4
RUN4509
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-5f1400cf-1_4
sdf
pdb
0.7
± 0.2
RUN2071
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-33_2
sdf
pdb
0.7
± 0.5
RUN1910
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-3fc3434e-1_1
sdf
pdb
0.7
± 0.4
RUN1635
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-4c68219f-1_1
sdf
pdb
0.7
± 0.4
RUN828
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-25_1
sdf
pdb
0.7
± 0.3
RUN4042
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-11_15
sdf
pdb
0.7
± 0.2
RUN3151
PET-UNK-29afea89-2_1
sdf
pdb
ROB-UNI-322e8f70-1_1
sdf
pdb
0.7
± 0.2
RUN3643
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ba7e64f2-2_1
sdf
pdb
0.8
± 0.4
RUN4486
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-8d4e5055-6_1
sdf
pdb
0.8
± 0.2
RUN3383
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-25_1
sdf
pdb
0.8
± 0.1
RUN933
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-8_4
sdf
pdb
0.8
± 0.5
RUN3335
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-d854bf4c-3_2
sdf
pdb
0.75
± 0.08
RUN1638
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-75_1
sdf
pdb
0.8
± 0.3
RUN3311
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-8758c41d-2_2
sdf
pdb
0.8
± 0.2
RUN4080
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-16_8
sdf
pdb
0.8
± 0.2
RUN3048
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-b3e6b0c2-13_1
sdf
pdb
0.75
± 0.10
RUN4338
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-7587a9ee-4_1
sdf
pdb
0.8
± 0.2
RUN4260
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-1_62
sdf
pdb
0.8
± 0.3
RUN2172
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-76695c4f-6_1
sdf
pdb
0.8
± 0.3
RUN2656
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-11_3
sdf
pdb
0.8
± 0.4
RUN2564
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-40433386-10_1
sdf
pdb
0.8
± 0.3
RUN936
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-6_4
sdf
pdb
0.8
± 0.2
RUN3949
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e6dd326d-8_1
sdf
pdb
0.8
± 0.2
RUN688
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-1_3
sdf
pdb
0.8
± 0.3
RUN1409
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-11_1
sdf
pdb
0.8
± 0.2
RUN4385
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-64942dd0-2_1
sdf
pdb
0.8
± 0.3
RUN4927
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-5_4
sdf
pdb
0.8
± 0.3
RUN4393
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-64942dd0-4_1
sdf
pdb
0.8
± 0.2
RUN312
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-372a2f82-1_1
sdf
pdb
0.8
± 0.3
RUN269
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-9582b2c5-2_7
sdf
pdb
0.8
± 0.1
RUN4517
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-93390d0c-1_2
sdf
pdb
0.8
± 0.2
RUN4426
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-9b23ef84-3_1
sdf
pdb
0.8
± 0.3
RUN3555
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8d415491-5_1
sdf
pdb
0.8
± 0.2
RUN4092
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-18_2
sdf
pdb
0.8
± 0.3
RUN4111
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-25_1
sdf
pdb
0.8
± 0.2
RUN4910
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-4_3
sdf
pdb
0.8
± 0.2
RUN1717
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-42_1
sdf
pdb
0.8
± 0.3
RUN1254
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-2_4
sdf
pdb
0.8
± 0.3
RUN1205
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-c852c98b-3_1
sdf
pdb
0.8
± 0.2
RUN1201
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-f2e727cd-6_4
sdf
pdb
0.8
± 0.5
RUN748
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-3_9
sdf
pdb
0.8
± 0.3
RUN1260
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-4_2
sdf
pdb
0.8
± 0.3
RUN2060
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-28_1
sdf
pdb
0.8
± 0.6
RUN3884
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-5b0345c3-2_1
sdf
pdb
0.8
± 0.2
RUN3571
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-a0a4abd7-4_1
sdf
pdb
0.8
± 0.2
RUN4757
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-ddc6ad53-1_1
sdf
pdb
0.8
± 0.3
RUN1611
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-61_2
sdf
pdb
0.8
± 0.5
RUN4412
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-03fd2068-6_1
sdf
pdb
0.8
± 0.2
RUN3875
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-670ad2ee-9_1
sdf
pdb
0.8
± 0.3
RUN1891
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-460e637d-2_8
sdf
pdb
0.8
± 0.4
RUN4530
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-6bf93aa8-1_1
sdf
pdb
0.8
± 0.2
RUN2783
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-dbbfd3db-14_1
sdf
pdb
0.8
± 0.2
RUN4363
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-d1eb1f41-16_1
sdf
pdb
0.8
± 0.2
RUN3645
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-3bb57da2-1_1
sdf
pdb
0.8
± 0.5
RUN4831
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-82cf4849-3_2
sdf
pdb
0.8
± 0.2
RUN3476
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-e002e396-12_2
sdf
pdb
0.8
± 0.6
RUN1619
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-65_1
sdf
pdb
0.8
± 0.2
RUN1959
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-43c25e9b-2_1
sdf
pdb
0.8
± 0.3
RUN4771
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-24589f88-5_4
sdf
pdb
0.8
± 0.2
RUN4630
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-ea4eb352-1_1
sdf
pdb
0.8
± 0.4
RUN637
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-34f3ed0c-9_1
sdf
pdb
0.8
± 0.6
RUN2768
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-dbbfd3db-1_1
sdf
pdb
0.78
± 0.08
RUN2708
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-23_4
sdf
pdb
0.78
± 0.07
RUN4596
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-61f37a1a-7_2
sdf
pdb
0.8
± 0.2
RUN3419
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-f6ee7aeb-6_1
sdf
pdb
0.8
± 0.3
RUN2285
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-80f122c8-2_1
sdf
pdb
0.8
± 0.2
RUN1474
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-971238d3-9_1
sdf
pdb
0.8
± 0.3
RUN4760
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-ddc6ad53-3_2
sdf
pdb
0.8
± 0.3
RUN3021
PET-UNK-29afea89-2_1
sdf
pdb
MAR-UCB-6ab2ec87-1_1
sdf
pdb
0.8
± 0.3
RUN2544
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-fcba3f31-2_1
sdf
pdb
0.8
± 0.6
RUN2857
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-650655fc-4_1
sdf
pdb
0.8
± 0.2
RUN866
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_17
sdf
pdb
0.8
± 0.3
RUN4364
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-d1eb1f41-14_1
sdf
pdb
0.8
± 0.3
RUN4656
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-ea4eb352-11_2
sdf
pdb
0.8
± 0.3
RUN4754
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-b566c0b0-8_2
sdf
pdb
0.8
± 0.3
RUN2546
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-fcba3f31-4_1
sdf
pdb
0.8
± 0.3
RUN382
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-cf04cb02-1_2
sdf
pdb
0.8
± 0.2
RUN3354
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-9_1
sdf
pdb
0.79
± 0.08
RUN1712
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-37_2
sdf
pdb
0.8
± 0.4
RUN4461
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1b5395f9-1_3
sdf
pdb
0.8
± 0.2
Last updated 2021-06-04T18:13:56.580002+00:00
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