COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 601 through 700 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN1668
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-7_2
sdf
pdb
−1.8
± 0.3
RUN2764
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-0b412456-7_1
sdf
pdb
−1.8
± 0.2
RUN1632
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-74_2
sdf
pdb
−1.8
± 0.2
RUN708
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-7_2
sdf
pdb
−1.8
± 0.2
RUN3641
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-b701bd13-6_2
sdf
pdb
−1.8
± 0.2
RUN2605
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-6864a934-1_1
sdf
pdb
−1.8
± 0.4
RUN3197
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-f893e2a1-3_2
sdf
pdb
−1.8
± 0.1
RUN804
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-1_1
sdf
pdb
−1.8
± 0.1
RUN1587
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-50_1
sdf
pdb
−1.8
± 0.5
RUN3074
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-4b5c0188-1_1
sdf
pdb
−1.8
± 0.2
RUN1421
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-11_13
sdf
pdb
−1.8
± 0.2
RUN3261
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-02d7a284-2_1
sdf
pdb
−1.8
± 0.1
RUN681
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-2_1
sdf
pdb
−1.8
± 0.2
RUN2916
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-5c5a631c-1_2
sdf
pdb
−1.75
± 0.08
RUN1140
PET-UNK-29afea89-2_1
sdf
pdb
BEN-BAS-c2bc0d80-5_1
sdf
pdb
−1.7
± 0.3
RUN2371
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-5d232de5-6_1
sdf
pdb
−1.7
± 0.3
RUN1406
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-23a8a11a-1_1
sdf
pdb
−1.7
± 0.2
RUN684
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-2_4
sdf
pdb
−1.7
± 0.2
RUN3037
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-b3e6b0c2-5_1
sdf
pdb
−1.7
± 0.2
RUN135
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-3e354a91-1_1
sdf
pdb
−1.7
± 0.2
RUN46
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-ce40166b-8_1
sdf
pdb
−1.7
± 0.2
RUN771
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-7_4
sdf
pdb
−1.7
± 0.3
RUN434
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-1d44ff04-1_1
sdf
pdb
−1.7
± 0.2
RUN835
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-28_1
sdf
pdb
−1.7
± 0.2
RUN675
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-50cce87d-9_2
sdf
pdb
−1.7
± 0.2
RUN2092
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-8_1
sdf
pdb
−1.7
± 0.5
RUN957
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-12_6
sdf
pdb
−1.7
± 0.4
RUN1098
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-d3acb8cc-4_1
sdf
pdb
−1.7
± 0.2
RUN3281
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-78e1d523-2_2
sdf
pdb
−1.7
± 0.1
RUN2469
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-0676e700-24_1
sdf
pdb
−1.7
± 0.4
RUN1452
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-15_13
sdf
pdb
−1.7
± 0.4
RUN2614
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-6864a934-10_1
sdf
pdb
−1.7
± 0.3
RUN525
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-2_2
sdf
pdb
−1.7
± 0.4
RUN3096
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-db5e3064-2_2
sdf
pdb
−1.7
± 0.4
RUN613
PET-UNK-29afea89-2_1
sdf
pdb
ADA-UCB-dc2b944c-15_1
sdf
pdb
−1.7
± 0.3
RUN404
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-23e5a6a0-2_2
sdf
pdb
−1.7
± 0.3
RUN573
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-23_1
sdf
pdb
−1.7
± 0.3
RUN1543
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-16_1
sdf
pdb
−1.7
± 0.3
RUN3155
PET-UNK-29afea89-2_1
sdf
pdb
ROB-UNI-322e8f70-3_2
sdf
pdb
−1.7
± 0.2
RUN919
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-4_7
sdf
pdb
−1.7
± 0.3
RUN2329
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-0e5afe9d-3_1
sdf
pdb
−1.7
± 0.4
RUN2615
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-6864a934-9_1
sdf
pdb
−1.7
± 0.4
RUN1185
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-b3306dea-1_1
sdf
pdb
−1.7
± 0.4
RUN2529
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-14_1
sdf
pdb
−1.7
± 0.4
RUN779
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-9_2
sdf
pdb
−1.7
± 0.2
RUN2098
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-16_1
sdf
pdb
−1.7
± 0.4
RUN731
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-2_1
sdf
pdb
−1.7
± 0.2
RUN2154
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fce787c2-7_2
sdf
pdb
−1.7
± 0.4
RUN799
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-3875bbc8-1_2
sdf
pdb
−1.7
± 0.2
RUN1237
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-4aa06b95-5_1
sdf
pdb
−1.7
± 0.2
RUN1316
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-696356e4-1_2
sdf
pdb
−1.7
± 0.4
RUN3235
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f2f46c9-7_2
sdf
pdb
−1.7
± 0.1
RUN147
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-9ff17035-2_1
sdf
pdb
−1.7
± 0.3
RUN276
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-b3e365b9-1_1
sdf
pdb
−1.7
± 0.5
RUN167
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-1dbca3b4-17_2
sdf
pdb
−1.7
± 0.3
RUN2657
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-11_4
sdf
pdb
−1.7
± 0.4
RUN3200
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-f893e2a1-5_1
sdf
pdb
−1.7
± 0.3
RUN285
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-e4b030d8-3_1
sdf
pdb
−1.7
± 0.4
RUN360
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-6a508060-13_1
sdf
pdb
−1.7
± 0.6
RUN35
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-ce40166b-1_2
sdf
pdb
−1.7
± 0.3
RUN2640
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-7_2
sdf
pdb
−1.7
± 0.4
RUN2111
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-21_1
sdf
pdb
−1.7
± 0.4
RUN189
PET-UNK-29afea89-2_1
sdf
pdb
NIR-THE-d08c3b48-1_1
sdf
pdb
−1.7
± 0.2
RUN2681
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-15_8
sdf
pdb
−1.7
± 0.3
RUN2231
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-2905de8c-3_1
sdf
pdb
−1.7
± 0.4
RUN3935
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-96f51285-6_1
sdf
pdb
−1.7
± 0.2
RUN2271
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-13_5
sdf
pdb
−1.7
± 0.5
RUN981
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-16_7
sdf
pdb
−1.7
± 0.3
RUN875
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_26
sdf
pdb
−1.7
± 0.4
RUN2274
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-13_8
sdf
pdb
−1.7
± 0.5
RUN4958
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-a24cc7ce-6_1
sdf
pdb
−1.7
± 0.2
RUN3294
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-4880b143-1_1
sdf
pdb
−1.7
± 0.4
RUN117
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-c9c1e0d8-3_1
sdf
pdb
−1.7
± 0.3
RUN1177
PET-UNK-29afea89-2_1
sdf
pdb
WIL-UNI-0732ac76-2_1
sdf
pdb
−1.7
± 0.3
RUN742
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-3_3
sdf
pdb
−1.7
± 0.4
RUN47
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-ce40166b-9_2
sdf
pdb
−1.7
± 0.2
RUN2177
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-76695c4f-8_1
sdf
pdb
−1.7
± 0.4
RUN1226
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-966f8da6-2_2
sdf
pdb
−1.7
± 0.3
RUN54
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-af71705c-1_1
sdf
pdb
−1.7
± 0.4
RUN2712
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-25_1
sdf
pdb
−1.7
± 0.3
RUN2493
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ea72002d-5_2
sdf
pdb
−1.6
± 0.4
RUN2263
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-11_1
sdf
pdb
−1.6
± 0.5
RUN888
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-36_1
sdf
pdb
−1.6
± 0.3
RUN3293
PET-UNK-29afea89-2_1
sdf
pdb
MIK-ENA-fc9ceda2-1_2
sdf
pdb
−1.6
± 0.2
RUN445
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-1d44ff04-10_1
sdf
pdb
−1.6
± 0.3
RUN3248
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f2f46c9-13_2
sdf
pdb
−1.6
± 0.1
RUN2393
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-f9802937-2_2
sdf
pdb
−1.6
± 0.4
RUN3036
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-b3e6b0c2-4_1
sdf
pdb
−1.6
± 0.2
RUN951
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-12_2
sdf
pdb
−1.6
± 0.4
RUN545
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-10_1
sdf
pdb
−1.6
± 0.4
RUN209
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-22_1
sdf
pdb
−1.6
± 0.3
RUN2160
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fce787c2-10_1
sdf
pdb
−1.6
± 0.4
RUN3309
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-a9372f04-1_1
sdf
pdb
−1.6
± 0.1
RUN1176
PET-UNK-29afea89-2_1
sdf
pdb
FRA-DIA-a1f3a927-1_1
sdf
pdb
−1.6
± 0.3
RUN616
PET-UNK-29afea89-2_1
sdf
pdb
ADA-UCB-dc2b944c-18_1
sdf
pdb
−1.6
± 0.3
RUN1485
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-a38a7bdd-5_1
sdf
pdb
−1.6
± 0.2
RUN94
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-2492181e-2_1
sdf
pdb
−1.6
± 0.2
RUN282
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-11b63608-1_2
sdf
pdb
−1.6
± 0.2
RUN114
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-2492181e-12_1
sdf
pdb
−1.6
± 0.2
RUN120
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-3b92565d-9_2
sdf
pdb
−1.6
± 0.4
Last updated 2021-06-04T18:13:56.580002+00:00
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