COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 1501 through 1600 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN3222
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f2f46c9-2_1
sdf
pdb
−0.6
± 0.2
RUN872
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_23
sdf
pdb
−0.6
± 0.2
RUN2659
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-12_2
sdf
pdb
−0.6
± 0.4
RUN1694
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-23_2
sdf
pdb
−0.6
± 0.5
RUN4321
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-3_53
sdf
pdb
−0.6
± 0.2
RUN3748
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-11_2
sdf
pdb
−0.6
± 0.2
RUN2106
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-26_1
sdf
pdb
−0.6
± 0.3
RUN4408
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fc9ede84-1_2
sdf
pdb
−0.6
± 0.2
RUN4851
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-54748b58-2_1
sdf
pdb
−0.6
± 0.5
RUN3751
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-12_1
sdf
pdb
−0.6
± 0.2
RUN4799
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-24589f88-12_2
sdf
pdb
−0.6
± 0.2
RUN364
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-8a69d52e-2_1
sdf
pdb
−0.6
± 0.5
RUN183
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-f13221e1-2_1
sdf
pdb
−0.6
± 0.4
RUN2735
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-28_4
sdf
pdb
−0.6
± 0.1
RUN4730
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-c82a5324-2_4
sdf
pdb
−0.6
± 0.2
RUN4519
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-93390d0c-2_2
sdf
pdb
−0.6
± 0.3
RUN3175
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fb82b63d-3_3
sdf
pdb
−0.6
± 0.1
RUN857
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_8
sdf
pdb
−0.6
± 0.4
RUN3119
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-7_1
sdf
pdb
−0.6
± 0.3
RUN1370
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-59_2
sdf
pdb
−0.6
± 0.2
RUN3282
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-78e1d523-5_1
sdf
pdb
−0.6
± 0.1
RUN2547
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-fcba3f31-5_1
sdf
pdb
−0.6
± 0.4
RUN1175
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-780445ae-2_2
sdf
pdb
−0.6
± 0.3
RUN1129
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-8d5af1ef-1_2
sdf
pdb
−0.6
± 0.3
RUN1502
PET-UNK-29afea89-2_1
sdf
pdb
LAU-MED-88a3970a-7_1
sdf
pdb
−0.6
± 0.2
RUN4012
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-9_4
sdf
pdb
−0.6
± 0.2
RUN1007
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-20_1
sdf
pdb
−0.6
± 0.3
RUN3130
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-11_2
sdf
pdb
−0.6
± 0.2
RUN1723
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-45_1
sdf
pdb
−0.6
± 0.3
RUN3016
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f7b7cd9-8_1
sdf
pdb
−0.57
± 0.07
RUN1469
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-971238d3-4_1
sdf
pdb
−0.6
± 0.3
RUN41
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-ce40166b-5_2
sdf
pdb
−0.6
± 0.1
RUN446
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-1d44ff04-11_1
sdf
pdb
−0.6
± 0.3
RUN249
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-9582b2c5-1_1
sdf
pdb
−0.6
± 0.3
RUN1940
PET-UNK-29afea89-2_1
sdf
pdb
NIR-THE-590dedc7-1_1
sdf
pdb
−0.6
± 0.5
RUN230
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-42_2
sdf
pdb
−0.6
± 0.1
RUN433
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-644c43c7-1_1
sdf
pdb
−0.6
± 0.3
RUN3647
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-58fba2bc-1_1
sdf
pdb
−0.6
± 0.4
RUN4353
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-d1eb1f41-7_2
sdf
pdb
−0.6
± 0.2
RUN3566
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-a0a4abd7-2_2
sdf
pdb
−0.6
± 0.2
RUN1252
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-2_2
sdf
pdb
−0.6
± 0.4
RUN2061
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-28_2
sdf
pdb
−0.6
± 0.6
RUN1125
PET-UNK-29afea89-2_1
sdf
pdb
JOH-SUS-a69c159d-5_1
sdf
pdb
−0.6
± 0.3
RUN443
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-1d44ff04-6_1
sdf
pdb
−0.6
± 0.5
RUN3497
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-0a05c952-1_2
sdf
pdb
−0.6
± 0.2
RUN508
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-8be7dca9-9_1
sdf
pdb
−0.6
± 0.3
RUN80
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-b5746674-104_1
sdf
pdb
−0.6
± 0.1
RUN2318
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-e0fe77e5-1_1
sdf
pdb
−0.6
± 0.5
RUN526
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-53907a1c-3_2
sdf
pdb
−0.5
± 0.4
RUN4727
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-c82a5324-2_1
sdf
pdb
−0.5
± 0.2
RUN3066
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-f37eaa14-7_1
sdf
pdb
−0.5
± 0.2
RUN829
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-26_1
sdf
pdb
−0.5
± 0.2
RUN558
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-14_4
sdf
pdb
−0.5
± 0.3
RUN3712
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-8c422e11-1_1
sdf
pdb
−0.5
± 0.4
RUN2849
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-8c98ee63-1_1
sdf
pdb
−0.54
± 0.07
RUN1735
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-55_1
sdf
pdb
−0.5
± 0.4
RUN1040
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-25_3
sdf
pdb
−0.5
± 0.3
RUN3329
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-d854bf4c-1_2
sdf
pdb
−0.5
± 0.3
RUN3152
PET-UNK-29afea89-2_1
sdf
pdb
ROB-UNI-322e8f70-1_2
sdf
pdb
−0.5
± 0.1
RUN393
PET-UNK-29afea89-2_1
sdf
pdb
FRA-DIA-b66f7109-2_1
sdf
pdb
−0.5
± 0.4
RUN3258
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-02d7a284-3_1
sdf
pdb
−0.5
± 0.1
RUN407
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-23e5a6a0-4_1
sdf
pdb
−0.5
± 0.3
RUN3995
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-6_4
sdf
pdb
−0.5
± 0.4
RUN4196
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-83d689b6-4_1
sdf
pdb
−0.53
± 0.08
RUN1337
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-28_1
sdf
pdb
−0.5
± 0.2
RUN2948
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-5_4
sdf
pdb
−0.5
± 0.1
RUN2300
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-56836b69-1_1
sdf
pdb
−0.5
± 0.3
RUN424
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-c5865d42-1_2
sdf
pdb
−0.5
± 0.3
RUN2045
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-20_2
sdf
pdb
−0.5
± 0.4
RUN3135
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-15_1
sdf
pdb
−0.5
± 0.2
RUN4695
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1981ceba-4_4
sdf
pdb
−0.5
± 0.3
RUN647
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-34f3ed0c-20_1
sdf
pdb
−0.5
± 0.3
RUN3839
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-841e0cf0-5_4
sdf
pdb
−0.5
± 0.2
RUN1512
PET-UNK-29afea89-2_1
sdf
pdb
LAU-MED-88a3970a-16_1
sdf
pdb
−0.5
± 0.3
RUN4346
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d1555997-2_1
sdf
pdb
−0.5
± 0.3
RUN1037
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-24_7
sdf
pdb
−0.5
± 0.4
RUN299
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-477dc5b7-2_1
sdf
pdb
−0.5
± 0.2
RUN1334
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-33_1
sdf
pdb
−0.5
± 0.4
RUN1738
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-60_1
sdf
pdb
−0.5
± 0.2
RUN1795
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-90_1
sdf
pdb
−0.5
± 0.3
RUN3872
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-670ad2ee-7_2
sdf
pdb
−0.5
± 0.3
RUN2174
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-76695c4f-10_1
sdf
pdb
−0.5
± 0.4
RUN4194
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-83d689b6-2_1
sdf
pdb
−0.51
± 0.07
RUN160
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-1dbca3b4-10_1
sdf
pdb
−0.5
± 0.4
RUN2213
PET-UNK-29afea89-2_1
sdf
pdb
LEE-CAM-7ab9b158-4_4
sdf
pdb
−0.5
± 0.4
RUN1096
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-d6de1f3c-5_2
sdf
pdb
−0.5
± 0.3
RUN4253
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-1_47
sdf
pdb
−0.5
± 0.2
RUN1419
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-11_11
sdf
pdb
−0.5
± 0.1
RUN3327
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-bb7ffe78-1_1
sdf
pdb
−0.5
± 0.2
RUN1122
PET-UNK-29afea89-2_1
sdf
pdb
JOH-SUS-a69c159d-4_1
sdf
pdb
−0.5
± 0.3
RUN3089
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-db5e3064-1_1
sdf
pdb
−0.5
± 0.3
RUN3304
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-ba665ac8-2_2
sdf
pdb
−0.5
± 0.2
RUN2930
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-2_8
sdf
pdb
−0.5
± 0.3
RUN1089
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-67d4a29a-3_1
sdf
pdb
−0.5
± 0.2
RUN1146
PET-UNK-29afea89-2_1
sdf
pdb
BEN-BAS-5c03e89e-2_4
sdf
pdb
−0.5
± 0.4
RUN1991
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-2d450e86-25_1
sdf
pdb
−0.5
± 0.4
RUN4441
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-9b23ef84-11_1
sdf
pdb
−0.5
± 0.3
RUN1006
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-20_2
sdf
pdb
−0.5
± 0.2
RUN2312
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-80f122c8-5_4
sdf
pdb
−0.5
± 0.2
RUN1292
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-12_2
sdf
pdb
−0.5
± 0.3
Last updated 2021-06-04T18:13:56.580002+00:00
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