COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 7401 through 7500 of 7687
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN233
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-4d77710c-53_1
sdf
pdb
4.4
± 0.6
RUN1207
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-5e7d1b3e-39_2
sdf
pdb
4.4
± 0.3
RUN2163
MAT-POS-b3e365b9-1_1
sdf
pdb
EDJ-MED-2f867453-1_1
sdf
pdb
4.4
± 0.3
RUN1792
MAT-POS-b3e365b9-1_1
sdf
pdb
JOH-UNI-50ce7ec3-2_1
sdf
pdb
4.4
± 0.4
RUN178
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-4d77710c-47_1
sdf
pdb
4.4
± 0.4
RUN5656
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-18928_2_2_1
sdf
pdb
4.4
± 0.2
RUN197
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-4d77710c-43_1
sdf
pdb
4.4
± 0.4
RUN1062
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-33_8
sdf
pdb
4.4
± 0.4
RUN142
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-4d77710c-22_1
sdf
pdb
4.4
± 0.6
RUN888
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-15_4
sdf
pdb
4.4
± 0.5
RUN1217
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-5e7d1b3e-13_2
sdf
pdb
4.4
± 0.5
RUN966
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-21_5
sdf
pdb
4.5
± 0.5
RUN6377
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-1270299_2_1_1
sdf
pdb
4.5
± 0.2
RUN1216
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-5e7d1b3e-20_1
sdf
pdb
4.5
± 0.6
RUN2724
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-36096_2_1_1
sdf
pdb
4.5
± 0.2
RUN1214
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-5e7d1b3e-42_2
sdf
pdb
4.5
± 0.4
RUN2075
MAT-POS-b3e365b9-1_1
sdf
pdb
LEE-CAM-7ab9b158-4_2
sdf
pdb
4.5
± 0.3
RUN2540
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-ba1ac7b9-26_1
sdf
pdb
4.5
± 0.4
RUN907
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-18_3
sdf
pdb
4.5
± 0.7
RUN2084
MAT-POS-b3e365b9-1_1
sdf
pdb
MAT-POS-1f3f1a6f-5_1
sdf
pdb
4.5
± 0.3
RUN1167
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-5e7d1b3e-9_1
sdf
pdb
4.5
± 0.5
RUN1311
MAT-POS-b3e365b9-1_1
sdf
pdb
JOH-UNI-a38a7bdd-2_1
sdf
pdb
4.5
± 0.4
RUN890
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-16_7
sdf
pdb
4.6
± 0.3
RUN2585
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-ba1ac7b9-27_3
sdf
pdb
4.6
± 0.9
RUN1197
MAT-POS-b3e365b9-1_1
sdf
pdb
RAL-THA-8416115c-9_1
sdf
pdb
4.6
± 0.4
RUN5368
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-52382_2_1_1
sdf
pdb
4.6
± 0.2
RUN30
MAT-POS-b3e365b9-1_1
sdf
pdb
MAT-POS-b5746674-42_1
sdf
pdb
4.6
± 0.4
RUN1223
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-5e7d1b3e-15_1
sdf
pdb
4.6
± 0.5
RUN2492
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-ba1ac7b9-18_2
sdf
pdb
4.6
± 0.4
RUN5153
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-205680_2_1_1
sdf
pdb
4.6
± 0.2
RUN1253
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-5e7d1b3e-35_1
sdf
pdb
4.6
± 0.6
RUN2329
MAT-POS-b3e365b9-1_1
sdf
pdb
ALP-UNI-0676e700-20_1
sdf
pdb
4.6
± 0.2
RUN6448
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-73102_2_2_1
sdf
pdb
4.6
± 0.3
RUN436
MAT-POS-b3e365b9-1_1
sdf
pdb
ALP-UNI-44c99a80-1_1
sdf
pdb
4.6
± 0.4
RUN7600
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-399606_2_1_1
sdf
pdb
4.6
± 0.2
RUN946
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-18_4
sdf
pdb
4.6
± 0.5
RUN67
MAT-POS-b3e365b9-1_1
sdf
pdb
MAT-POS-b5746674-107_1
sdf
pdb
4.6
± 0.6
RUN1510
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-90036822-4_1
sdf
pdb
4.7
± 0.6
RUN999
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-33_1
sdf
pdb
4.7
± 0.4
RUN4611
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-36495_2_1_1
sdf
pdb
4.7
± 0.2
RUN904
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-20_5
sdf
pdb
4.7
± 0.6
RUN670
MAT-POS-b3e365b9-1_1
sdf
pdb
MIC-UNK-5a93dd5f-8_2
sdf
pdb
4.7
± 0.6
RUN75
MAT-POS-b3e365b9-1_1
sdf
pdb
MAT-POS-2492181e-10_2
sdf
pdb
4.7
± 0.6
RUN2286
MAT-POS-b3e365b9-1_1
sdf
pdb
ALP-UNI-0676e700-8_1
sdf
pdb
4.7
± 0.2
RUN918
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-15_6
sdf
pdb
4.7
± 0.5
RUN892
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-16_2
sdf
pdb
4.7
± 0.4
RUN1274
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-5e7d1b3e-38_1
sdf
pdb
4.7
± 0.7
RUN711
MAT-POS-b3e365b9-1_1
sdf
pdb
DAR-DIA-0d514e7d-31_1
sdf
pdb
4.7
± 0.3
RUN6171
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-259694_4_1_1
sdf
pdb
4.7
± 0.6
RUN6827
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-39501_2_1_1
sdf
pdb
4.7
± 0.3
RUN61
MAT-POS-b3e365b9-1_1
sdf
pdb
MAT-POS-b5746674-98_2
sdf
pdb
4.7
± 0.6
RUN876
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-16_5
sdf
pdb
4.8
± 0.4
RUN7
MAT-POS-b3e365b9-1_1
sdf
pdb
MAT-POS-af71705c-1_1
sdf
pdb
4.8
± 0.4
RUN383
MAT-POS-b3e365b9-1_1
sdf
pdb
MIC-UNK-91acba05-3_2
sdf
pdb
4.8
± 0.2
RUN7651
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-13890_2_2_1
sdf
pdb
4.8
± 0.2
RUN879
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-16_11
sdf
pdb
4.8
± 0.8
RUN1145
MAT-POS-b3e365b9-1_1
sdf
pdb
RAL-THA-8416115c-12_3
sdf
pdb
4.8
± 0.5
RUN217
MAT-POS-b3e365b9-1_1
sdf
pdb
MIC-UNK-9582b2c5-3_3
sdf
pdb
4.8
± 0.4
RUN180
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-4d77710c-7_1
sdf
pdb
4.8
± 0.5
RUN1210
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-5e7d1b3e-43_1
sdf
pdb
4.8
± 0.6
RUN4551
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-246178_2_1_1
sdf
pdb
4.8
± 0.3
RUN2280
MAT-POS-b3e365b9-1_1
sdf
pdb
ALP-POS-5bb456a5-2_5
sdf
pdb
4.8
± 0.4
RUN433
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-8be7dca9-10_4
sdf
pdb
4.8
± 0.3
RUN161
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-4d77710c-33_2
sdf
pdb
4.8
± 0.4
RUN393
MAT-POS-b3e365b9-1_1
sdf
pdb
RAL-THA-065e0743-1_1
sdf
pdb
4.9
± 0.4
RUN1013
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-33_4
sdf
pdb
4.9
± 0.6
RUN1053
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-28_7
sdf
pdb
4.9
± 0.4
RUN32
MAT-POS-b3e365b9-1_1
sdf
pdb
MAT-POS-2492181e-2_1
sdf
pdb
4.9
± 0.6
RUN238
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-4d77710c-46_1
sdf
pdb
4.9
± 0.5
RUN663
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-ffc90da7-4_1
sdf
pdb
4.9
± 0.6
RUN3469
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-1072199_3_2_1
sdf
pdb
4.9
± 0.2
RUN186
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-4d77710c-51_1
sdf
pdb
4.9
± 0.5
RUN1049
MAT-POS-b3e365b9-1_1
sdf
pdb
JOH-UNI-f51e3bbc-3_2
sdf
pdb
4.9
± 0.3
RUN887
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-16_15
sdf
pdb
4.9
± 0.5
RUN940
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-18_6
sdf
pdb
4.9
± 0.5
RUN73
MAT-POS-b3e365b9-1_1
sdf
pdb
MAT-POS-b5746674-109_1
sdf
pdb
4.9
± 0.7
RUN1225
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-5e7d1b3e-16_1
sdf
pdb
5.0
± 0.7
RUN886
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-3_2
sdf
pdb
5.0
± 0.6
RUN207
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-4d77710c-44_1
sdf
pdb
5.0
± 0.4
RUN910
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-16_16
sdf
pdb
5.0
± 0.4
RUN2247
MAT-POS-b3e365b9-1_1
sdf
pdb
ALP-POS-5bb456a5-2_1
sdf
pdb
5.0
± 0.6
RUN6082
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-368758_2_2_1
sdf
pdb
5.0
± 0.2
RUN741
MAT-POS-b3e365b9-1_1
sdf
pdb
DAR-DIA-0d514e7d-31_2
sdf
pdb
5.0
± 0.3
RUN1246
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-5e7d1b3e-46_1
sdf
pdb
5.0
± 0.4
RUN185
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-4d77710c-39_1
sdf
pdb
5.0
± 0.3
RUN919
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-16_14
sdf
pdb
5.0
± 0.5
RUN2531
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-ba1ac7b9-11_4
sdf
pdb
5.1
± 0.4
RUN4049
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-7439284_4_1_1
sdf
pdb
5.1
± 0.4
RUN1747
MAT-POS-b3e365b9-1_1
sdf
pdb
JOH-UNI-3fc3434e-7_1
sdf
pdb
5.1
± 0.3
RUN1403
MAT-POS-b3e365b9-1_1
sdf
pdb
ED_-GRI-5b13fbe2-2_1
sdf
pdb
5.1
± 0.4
RUN949
MAT-POS-b3e365b9-1_1
sdf
pdb
MAK-UNK-c749d764-24_2
sdf
pdb
5.1
± 0.4
RUN1972
MAT-POS-b3e365b9-1_1
sdf
pdb
PET-UNK-4dc48bbe-8_1
sdf
pdb
5.1
± 0.2
RUN240
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-4d77710c-37_1
sdf
pdb
5.1
± 0.5
RUN1358
MAT-POS-b3e365b9-1_1
sdf
pdb
LAU-MED-88a3970a-12_1
sdf
pdb
5.1
± 0.5
RUN2713
MAT-POS-b3e365b9-1_1
sdf
pdb
EN300-36851_2_3_1
sdf
pdb
5.1
± 0.2
RUN1753
MAT-POS-b3e365b9-1_1
sdf
pdb
JOH-UNI-ee5ed7c8-7_1
sdf
pdb
5.1
± 0.3
RUN46
MAT-POS-b3e365b9-1_1
sdf
pdb
MAT-POS-b5746674-36_1
sdf
pdb
5.2
± 0.4
RUN1256
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-5e7d1b3e-37_1
sdf
pdb
5.2
± 0.7
RUN1762
MAT-POS-b3e365b9-1_1
sdf
pdb
EDG-MED-90036822-102_2
sdf
pdb
5.2
± 0.8
RUN245
MAT-POS-b3e365b9-1_1
sdf
pdb
LON-WEI-4d77710c-38_2
sdf
pdb
5.2
± 0.7
Last updated 2021-02-17T18:02:40.003401+00:00
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