COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 701 through 800 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN718
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-9_6
sdf
pdb
−1.6
± 0.1
RUN670
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-50cce87d-7_2
sdf
pdb
−1.6
± 0.3
RUN2954
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-5_11
sdf
pdb
−1.6
± 0.1
RUN2333
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e69ad64a-2_2
sdf
pdb
−1.6
± 0.4
RUN1837
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-104_1
sdf
pdb
−1.6
± 0.5
RUN3260
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-02d7a284-1_1
sdf
pdb
−1.6
± 0.2
RUN3342
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-d854bf4c-7_2
sdf
pdb
−1.6
± 0.2
RUN2291
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-80f122c8-1_1
sdf
pdb
−1.6
± 0.4
RUN3389
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-26_2
sdf
pdb
−1.6
± 0.2
RUN1055
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-28_2
sdf
pdb
−1.6
± 0.4
RUN1048
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-26_3
sdf
pdb
−1.6
± 0.5
RUN620
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-706446eb-2_1
sdf
pdb
−1.6
± 0.4
RUN1552
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-23_1
sdf
pdb
−1.6
± 0.4
RUN3297
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-3b97339c-1_1
sdf
pdb
−1.6
± 0.1
RUN2
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-eace69ff-19_1
sdf
pdb
−1.6
± 0.2
RUN3540
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-dd3ad2b5-4_4
sdf
pdb
−1.6
± 0.1
RUN1488
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-a38a7bdd-5_3
sdf
pdb
−1.6
± 0.2
RUN323
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-05e51b3f-12_1
sdf
pdb
−1.6
± 0.6
RUN3436
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-6d9ff7d0-9_1
sdf
pdb
−1.6
± 0.2
RUN2648
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-9_3
sdf
pdb
−1.6
± 0.4
RUN998
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-19_1
sdf
pdb
−1.6
± 0.4
RUN4257
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-1_50
sdf
pdb
−1.6
± 0.3
RUN348
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-6a508060-9_1
sdf
pdb
−1.6
± 0.5
RUN363
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-8a69d52e-1_4
sdf
pdb
−1.6
± 0.9
RUN4369
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-6e27fddc-4_1
sdf
pdb
−1.6
± 0.3
RUN203
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-18_1
sdf
pdb
−1.6
± 0.2
RUN910
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-3_6
sdf
pdb
−1.6
± 0.3
RUN86
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-b5746674-106_1
sdf
pdb
−1.6
± 0.2
RUN837
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-30_1
sdf
pdb
−1.6
± 0.2
RUN2553
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-40433386-2_1
sdf
pdb
−1.6
± 0.4
RUN504
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-8be7dca9-6_2
sdf
pdb
−1.6
± 0.5
RUN1547
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-20_1
sdf
pdb
−1.6
± 0.3
RUN2548
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-fcba3f31-9_1
sdf
pdb
−1.6
± 0.4
RUN1614
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-66_2
sdf
pdb
−1.6
± 0.3
RUN719
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-9_8
sdf
pdb
−1.6
± 0.2
RUN3535
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-dd3ad2b5-3_1
sdf
pdb
−1.6
± 0.2
RUN841
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-31_8
sdf
pdb
−1.6
± 0.2
RUN491
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-8be7dca9-1_1
sdf
pdb
−1.6
± 0.3
RUN3067
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-f37eaa14-7_2
sdf
pdb
−1.6
± 0.5
RUN84
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-b5746674-102_2
sdf
pdb
−1.6
± 0.2
RUN1557
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-27_1
sdf
pdb
−1.6
± 0.3
RUN520
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-a17c93d1-1_1
sdf
pdb
−1.6
± 0.3
RUN642
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-34f3ed0c-18_1
sdf
pdb
−1.6
± 0.3
RUN3798
PET-UNK-29afea89-2_1
sdf
pdb
FRA-DIA-6238d354-2_3
sdf
pdb
−1.6
± 0.3
RUN205
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-17_1
sdf
pdb
−1.6
± 0.1
RUN60
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-3b848b35-2_2
sdf
pdb
−1.6
± 0.2
RUN30
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0cde14eb-60_1
sdf
pdb
−1.6
± 0.5
RUN634
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-34f3ed0c-8_1
sdf
pdb
−1.5
± 0.3
RUN3328
PET-UNK-29afea89-2_1
sdf
pdb
NIR-THE-47736cde-2_1
sdf
pdb
−1.5
± 0.1
RUN473
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-91acba05-3_2
sdf
pdb
−1.5
± 0.3
RUN1309
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-c5a20098-3_1
sdf
pdb
−1.5
± 0.4
RUN437
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-1d44ff04-3_1
sdf
pdb
−1.5
± 0.6
RUN3150
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-37aac4bd-6_2
sdf
pdb
−1.5
± 0.1
RUN2345
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d08626de-5_1
sdf
pdb
−1.5
± 0.3
RUN1222
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-54c4bf04-2_1
sdf
pdb
−1.5
± 0.4
RUN3746
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-10_2
sdf
pdb
−1.5
± 0.1
RUN2323
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-e0fe77e5-1_2
sdf
pdb
−1.5
± 0.3
RUN2557
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-40433386-6_1
sdf
pdb
−1.5
± 0.3
RUN1168
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-8922bd3c-1_1
sdf
pdb
−1.5
± 0.2
RUN127
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-c66144cb-3_1
sdf
pdb
−1.5
± 0.3
RUN2641
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-5_4
sdf
pdb
−1.5
± 0.6
RUN2477
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-e7614d05-1_1
sdf
pdb
−1.5
± 0.4
RUN645
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-02c6a514-32_2
sdf
pdb
−1.5
± 0.4
RUN2107
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-25_1
sdf
pdb
−1.5
± 0.4
RUN2301
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-80f122c8-5_1
sdf
pdb
−1.5
± 0.4
RUN2450
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-0676e700-2_2
sdf
pdb
−1.5
± 0.3
RUN1354
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-45_1
sdf
pdb
−1.5
± 0.4
RUN2515
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-5_4
sdf
pdb
−1.5
± 0.4
RUN239
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-52_1
sdf
pdb
−1.5
± 0.3
RUN1117
PET-UNK-29afea89-2_1
sdf
pdb
JOH-SUS-a69c159d-1_2
sdf
pdb
−1.5
± 0.2
RUN328
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-05e51b3f-16_1
sdf
pdb
−1.5
± 0.5
RUN1005
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-19_8
sdf
pdb
−1.5
± 0.3
RUN81
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-b5746674-103_1
sdf
pdb
−1.5
± 0.2
RUN104
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-2492181e-10_1
sdf
pdb
−1.5
± 0.2
RUN246
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-50_2
sdf
pdb
−1.5
± 0.3
RUN133
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-7be94445-2_1
sdf
pdb
−1.5
± 0.2
RUN3606
PET-UNK-29afea89-2_1
sdf
pdb
RUB-POS-1325a9ea-2_1
sdf
pdb
−1.5
± 0.2
RUN3619
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-5369c344-3_2
sdf
pdb
−1.50
± 0.08
RUN10
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0cde14eb-46_1
sdf
pdb
−1.5
± 0.2
RUN2349
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-9e38fd34-4_1
sdf
pdb
−1.5
± 0.3
RUN207
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-21_1
sdf
pdb
−1.5
± 0.1
RUN2488
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ea72002d-4_1
sdf
pdb
−1.5
± 0.4
RUN392
PET-UNK-29afea89-2_1
sdf
pdb
FRA-DIA-b66f7109-1_2
sdf
pdb
−1.5
± 0.3
RUN3361
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-13_2
sdf
pdb
−1.5
± 0.1
RUN2597
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d203f206-34_1
sdf
pdb
−1.5
± 0.3
RUN2381
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-2da19ca7-7_1
sdf
pdb
−1.5
± 0.3
RUN1349
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-42_2
sdf
pdb
−1.5
± 0.3
RUN450
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-065e0743-2_1
sdf
pdb
−1.5
± 0.5
RUN594
PET-UNK-29afea89-2_1
sdf
pdb
ADA-UCB-dc2b944c-1_1
sdf
pdb
−1.5
± 0.2
RUN667
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-50cce87d-4_1
sdf
pdb
−1.5
± 0.2
RUN1092
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-d3acb8cc-1_1
sdf
pdb
−1.5
± 0.3
RUN3326
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-d854bf4c-1_1
sdf
pdb
−1.5
± 0.1
RUN2602
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d203f206-41_1
sdf
pdb
−1.5
± 0.5
RUN1259
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-4_1
sdf
pdb
−1.5
± 0.3
RUN887
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-35_1
sdf
pdb
−1.5
± 0.3
RUN2888
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-ecdbc7dd-8_2
sdf
pdb
−1.5
± 0.1
RUN1276
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-8_2
sdf
pdb
−1.5
± 0.3
RUN1455
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-15_12
sdf
pdb
−1.5
± 0.3
RUN4440
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-9b23ef84-10_2
sdf
pdb
−1.5
± 0.3
RUN3134
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-14_2
sdf
pdb
−1.5
± 0.1
Last updated 2021-06-04T18:13:56.580002+00:00
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