COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 1901 through 2000 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN783
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-9_6
sdf
pdb
−0.2
± 0.3
RUN2244
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-3_2
sdf
pdb
−0.2
± 0.5
RUN764
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-5_8
sdf
pdb
−0.2
± 0.3
RUN1249
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-1_3
sdf
pdb
−0.2
± 0.6
RUN1203
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-c852c98b-1_2
sdf
pdb
−0.2
± 0.2
RUN1393
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-4ce8bf23-3_1
sdf
pdb
−0.2
± 0.4
RUN3817
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-4987d2cd-4_4
sdf
pdb
−0.2
± 0.2
RUN4490
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-b9d6aec1-2_1
sdf
pdb
−0.2
± 0.3
RUN964
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-15_7
sdf
pdb
−0.2
± 0.2
RUN1432
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-13_8
sdf
pdb
−0.2
± 0.5
RUN921
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-5_1
sdf
pdb
−0.2
± 0.4
RUN3735
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-8_1
sdf
pdb
−0.2
± 0.1
RUN2978
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-12_4
sdf
pdb
−0.2
± 0.2
RUN776
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-8_1
sdf
pdb
−0.2
± 0.3
RUN4315
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-3_40
sdf
pdb
−0.16
± 0.08
RUN1492
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-a38a7bdd-6_3
sdf
pdb
−0.2
± 0.2
RUN1230
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-4aa06b95-1_2
sdf
pdb
−0.2
± 0.4
RUN3250
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f2f46c9-13_1
sdf
pdb
−0.2
± 0.2
RUN2778
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-dbbfd3db-10_1
sdf
pdb
−0.2
± 0.1
RUN2670
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-14_5
sdf
pdb
−0.2
± 0.5
RUN4102
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-22_2
sdf
pdb
−0.2
± 0.2
RUN1182
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-c3a96089-2_1
sdf
pdb
−0.2
± 0.6
RUN895
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-1_7
sdf
pdb
−0.2
± 0.2
RUN1437
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-13_14
sdf
pdb
−0.2
± 0.4
RUN1527
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-5_1
sdf
pdb
−0.1
± 0.2
RUN711
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-8_1
sdf
pdb
−0.1
± 0.4
RUN3518
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-0a05c952-3_8
sdf
pdb
−0.15
± 0.06
RUN2677
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-15_4
sdf
pdb
−0.1
± 0.2
RUN4184
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-21fd6073-4_2
sdf
pdb
−0.1
± 0.2
RUN4228
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-923a35c2-5_3
sdf
pdb
−0.1
± 0.2
RUN1572
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-38_1
sdf
pdb
−0.1
± 0.5
RUN2676
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-15_3
sdf
pdb
−0.1
± 0.2
RUN196
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-6_1
sdf
pdb
−0.1
± 0.3
RUN3288
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-824b5c6a-2_1
sdf
pdb
−0.1
± 0.1
RUN3726
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-2_2
sdf
pdb
−0.1
± 0.1
RUN3703
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-18_1
sdf
pdb
−0.1
± 0.2
RUN1003
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-19_6
sdf
pdb
−0.1
± 0.3
RUN4152
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-35_2
sdf
pdb
−0.1
± 0.2
RUN204
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-16_1
sdf
pdb
−0.1
± 0.1
RUN3093
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-9a7dc93f-7_1
sdf
pdb
−0.1
± 0.3
RUN2603
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d203f206-40_1
sdf
pdb
−0.1
± 0.5
RUN468
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-91acba05-1_2
sdf
pdb
−0.1
± 0.3
RUN3907
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-009f762b-1_2
sdf
pdb
−0.1
± 0.2
RUN2053
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-24_2
sdf
pdb
−0.1
± 0.4
RUN3341
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-d854bf4c-6_2
sdf
pdb
−0.1
± 0.1
RUN3720
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-1_2
sdf
pdb
−0.1
± 0.2
RUN685
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-2_5
sdf
pdb
−0.12
± 0.09
RUN4331
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-dbb9503d-2_2
sdf
pdb
−0.1
± 0.2
RUN3999
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-7_3
sdf
pdb
−0.1
± 0.3
RUN4464
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1b5395f9-2_2
sdf
pdb
−0.1
± 0.2
RUN2696
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-20_3
sdf
pdb
−0.12
± 0.09
RUN1511
PET-UNK-29afea89-2_1
sdf
pdb
LAU-MED-88a3970a-15_1
sdf
pdb
−0.1
± 0.1
RUN1909
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ee5ed7c8-10_1
sdf
pdb
−0.1
± 0.4
RUN3992
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-5_4
sdf
pdb
−0.1
± 0.2
RUN3651
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-58fba2bc-2_1
sdf
pdb
−0.1
± 0.4
RUN3970
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-9bf1291a-5_2
sdf
pdb
−0.1
± 0.3
RUN4516
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-93390d0c-1_1
sdf
pdb
−0.1
± 0.3
RUN2749
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-33_2
sdf
pdb
−0.11
± 0.07
RUN907
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-3_3
sdf
pdb
−0.1
± 0.3
RUN3220
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f2f46c9-1_3
sdf
pdb
−0.1
± 0.2
RUN103
PET-UNK-29afea89-2_1
sdf
pdb
MAR-TRE-a3327163-39_1
sdf
pdb
−0.1
± 0.3
RUN1164
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-f51e3bbc-4_1
sdf
pdb
−0.1
± 0.2
RUN1070
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-29_8
sdf
pdb
−0.1
± 0.4
RUN987
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-16_14
sdf
pdb
−0.1
± 0.4
RUN2938
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-2_16
sdf
pdb
−0.1
± 0.3
RUN151
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-d36ab305-1_1
sdf
pdb
−0.1
± 0.1
RUN2807
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ee07cf00-4_1
sdf
pdb
−0.1
± 0.2
RUN4302
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-3_10
sdf
pdb
−0.1
± 0.2
RUN4593
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-61f37a1a-4_1
sdf
pdb
−0.1
± 0.2
RUN1244
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-4aa06b95-7_2
sdf
pdb
−0.1
± 0.4
RUN3050
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-b3e6b0c2-15_1
sdf
pdb
−0.1
± 0.2
RUN4387
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-64942dd0-2_3
sdf
pdb
−0.1
± 0.3
RUN3422
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-f6ee7aeb-6_4
sdf
pdb
−0.1
± 0.2
RUN4320
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-3_54
sdf
pdb
−0.1
± 0.2
RUN587
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-bcd487e9-2_1
sdf
pdb
−0.1
± 0.3
RUN2404
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-f39f51fd-1_1
sdf
pdb
−0.1
± 0.3
RUN1911
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ee5ed7c8-13_1
sdf
pdb
−0.1
± 0.4
RUN3846
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-841e0cf0-7_3
sdf
pdb
−0.1
± 0.1
RUN766
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-6_1
sdf
pdb
−0.1
± 0.5
RUN889
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-1_2
sdf
pdb
−0.1
± 0.3
RUN1655
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-4c68219f-11_1
sdf
pdb
−0.1
± 0.1
RUN2372
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-5d232de5-6_2
sdf
pdb
−0.1
± 0.2
RUN3140
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-37aac4bd-1_2
sdf
pdb
−0.1
± 0.2
RUN4892
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-67d5babe-4_2
sdf
pdb
−0.1
± 0.3
RUN3831
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-841e0cf0-2_2
sdf
pdb
−0.1
± 0.2
RUN2376
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-2da19ca7-2_2
sdf
pdb
−0.1
± 0.2
RUN5018
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-d8472c4f-5_1
sdf
pdb
−0.1
± 0.4
RUN3158
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-b9c208fe-2_1
sdf
pdb
−0.1
± 0.1
RUN5113
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-37660950-3_2
sdf
pdb
−0.1
± 0.2
RUN1022
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-22_1
sdf
pdb
−0.1
± 0.3
RUN624
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-706446eb-7_2
sdf
pdb
−0.1
± 0.4
RUN368
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-8a69d52e-4_3
sdf
pdb
−0.1
± 0.4
RUN5058
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-a3f7f96a-9_1
sdf
pdb
−0.1
± 0.2
RUN3137
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-15_2
sdf
pdb
−0.1
± 0.2
RUN3161
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-4f704dc9-2_1
sdf
pdb
−0.1
± 0.2
RUN3277
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-78e1d523-1_1
sdf
pdb
−0.1
± 0.2
RUN5044
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-a3f7f96a-6_4
sdf
pdb
−0.1
± 0.2
RUN4471
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1b5395f9-5_1
sdf
pdb
−0.1
± 0.2
RUN238
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-49_1
sdf
pdb
−0.1
± 0.4
RUN5075
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-11faade0-1_2
sdf
pdb
−0.1
± 0.2
Last updated 2021-06-04T18:13:56.580002+00:00
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