COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 4901 through 5000 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN4510
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-5f1400cf-1_5
sdf
pdb
4.2
± 0.4
RUN3346
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-2_1
sdf
pdb
4.3
± 0.1
RUN3879
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-670ad2ee-11_1
sdf
pdb
4.3
± 0.5
RUN4988
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1320d94d-17_1
sdf
pdb
4.3
± 0.2
RUN4990
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1320d94d-19_1
sdf
pdb
4.3
± 0.4
RUN4881
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-67d5babe-1_16
sdf
pdb
4.3
± 0.5
RUN3610
PET-UNK-29afea89-2_1
sdf
pdb
RUB-POS-1325a9ea-17_1
sdf
pdb
4.4
± 0.1
RUN3731
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-6_1
sdf
pdb
4.4
± 0.2
RUN1713
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-37_3
sdf
pdb
4.4
± 0.6
RUN2109
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-24_1
sdf
pdb
4.4
± 0.4
RUN5101
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-827e7cb4-3_1
sdf
pdb
4.4
± 0.4
RUN4866
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-67d5babe-1_2
sdf
pdb
4.4
± 0.4
RUN3614
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-5369c344-1_1
sdf
pdb
4.4
± 0.1
RUN1169
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-6fede743-4_1
sdf
pdb
4.4
± 0.4
RUN4867
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-67d5babe-1_1
sdf
pdb
4.4
± 0.4
RUN2929
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-2_7
sdf
pdb
4.4
± 0.2
RUN4916
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-4_9
sdf
pdb
4.5
± 0.4
RUN2415
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-1_12
sdf
pdb
4.5
± 0.3
RUN2140
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fce787c2-2_1
sdf
pdb
4.5
± 0.3
RUN3942
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e6dd326d-3_2
sdf
pdb
4.5
± 0.1
RUN902
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-2_6
sdf
pdb
4.5
± 0.2
RUN1299
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-14_1
sdf
pdb
4.5
± 0.4
RUN1919
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-3fc3434e-7_2
sdf
pdb
4.5
± 0.6
RUN2540
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-16_1
sdf
pdb
4.5
± 0.3
RUN4476
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-0cc03aae-5_1
sdf
pdb
4.5
± 0.3
RUN214
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-33_1
sdf
pdb
4.5
± 0.2
RUN3552
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-cf4b0d25-1_2
sdf
pdb
4.5
± 0.1
RUN2541
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-fcba3f31-3_1
sdf
pdb
4.5
± 0.4
RUN1627
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-70_1
sdf
pdb
4.5
± 0.6
RUN3443
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-15e90dfc-4_1
sdf
pdb
4.5
± 0.2
RUN3808
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-4987d2cd-2_4
sdf
pdb
4.6
± 0.1
RUN4070
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-15_2
sdf
pdb
4.6
± 0.2
RUN2400
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-2da19ca7-8_2
sdf
pdb
4.6
± 0.4
RUN1388
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-30527ac5-1_1
sdf
pdb
4.6
± 0.5
RUN4610
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-61f37a1a-11_2
sdf
pdb
4.6
± 0.4
RUN4776
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-24589f88-6_1
sdf
pdb
4.6
± 0.5
RUN1873
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-281d2ee9-3_1
sdf
pdb
4.6
± 0.6
RUN2852
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-650655fc-1_2
sdf
pdb
4.6
± 0.1
RUN4852
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-54748b58-2_3
sdf
pdb
4.7
± 0.6
RUN2530
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-15_1
sdf
pdb
4.7
± 0.4
RUN2802
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-9db1e783-3_1
sdf
pdb
4.7
± 0.2
RUN922
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-5_2
sdf
pdb
4.7
± 0.2
RUN3983
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-3_3
sdf
pdb
4.7
± 0.3
RUN4295
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-2_48
sdf
pdb
4.7
± 0.5
RUN4203
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-6e9f8a43-1_1
sdf
pdb
4.7
± 0.2
RUN4234
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-1_4
sdf
pdb
4.7
± 0.1
RUN2434
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-5_1
sdf
pdb
4.8
± 0.5
RUN3996
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-6_3
sdf
pdb
4.8
± 0.3
RUN3622
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-5369c344-5_1
sdf
pdb
4.8
± 0.1
RUN3968
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e6dd326d-14_2
sdf
pdb
4.8
± 0.4
RUN2823
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ee07cf00-10_1
sdf
pdb
4.8
± 0.2
RUN4217
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-923a35c2-2_3
sdf
pdb
4.8
± 0.2
RUN890
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-1_1
sdf
pdb
4.8
± 0.2
RUN1537
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-8_1
sdf
pdb
4.8
± 0.2
RUN1392
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-30527ac5-4_1
sdf
pdb
4.8
± 0.2
RUN4997
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1320d94d-26_1
sdf
pdb
4.8
± 0.5
RUN935
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-6_3
sdf
pdb
4.9
± 0.2
RUN929
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-8_1
sdf
pdb
4.9
± 0.2
RUN2883
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-ecdbc7dd-6_1
sdf
pdb
4.9
± 0.3
RUN4709
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-dc2604c4-2_3
sdf
pdb
4.9
± 0.7
RUN4789
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-24589f88-11_4
sdf
pdb
4.9
± 0.4
RUN3602
PET-UNK-29afea89-2_1
sdf
pdb
JIN-POS-6dc588a4-18_1
sdf
pdb
4.9
± 0.2
RUN2189
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-cc05818f-1_1
sdf
pdb
4.9
± 0.5
RUN3838
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-841e0cf0-5_3
sdf
pdb
4.9
± 0.2
RUN1793
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-89_2
sdf
pdb
5.0
± 0.1
RUN5070
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-06e5f114-4_4
sdf
pdb
5.0
± 0.4
RUN1803
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-92_2
sdf
pdb
5.0
± 0.5
RUN3608
PET-UNK-29afea89-2_1
sdf
pdb
RUB-POS-1325a9ea-5_1
sdf
pdb
5.0
± 0.1
RUN1938
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-4c7486ba-10_1
sdf
pdb
5.0
± 0.5
RUN3511
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-0a05c952-2_7
sdf
pdb
5.0
± 0.3
RUN4893
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-67d5babe-5_2
sdf
pdb
5.0
± 0.6
RUN3715
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-8c422e11-4_1
sdf
pdb
5.0
± 0.2
RUN3805
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-4987d2cd-2_2
sdf
pdb
5.0
± 0.2
RUN3741
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-9_5
sdf
pdb
5.0
± 0.1
RUN927
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-5_7
sdf
pdb
5.0
± 0.2
RUN3349
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-4_1
sdf
pdb
5.0
± 0.2
RUN2510
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-4_1
sdf
pdb
5.1
± 0.4
RUN4344
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d1555997-1_1
sdf
pdb
5.1
± 0.5
RUN1128
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-8d5af1ef-1_1
sdf
pdb
5.1
± 0.2
RUN2527
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-12_1
sdf
pdb
5.1
± 0.3
RUN2961
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-6_1
sdf
pdb
5.1
± 0.1
RUN4149
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-34_3
sdf
pdb
5.1
± 0.2
RUN4430
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-9b23ef84-5_2
sdf
pdb
5.2
± 0.4
RUN4750
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-b566c0b0-2_1
sdf
pdb
5.2
± 0.6
RUN3826
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-45b13633-5_2
sdf
pdb
5.2
± 0.1
RUN3455
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-e002e396-3_1
sdf
pdb
5.2
± 0.2
RUN2915
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-5c5a631c-1_1
sdf
pdb
5.2
± 0.2
RUN4926
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-5_3
sdf
pdb
5.3
± 0.2
RUN3557
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8d415491-6_1
sdf
pdb
5.3
± 0.3
RUN2806
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ee07cf00-3_2
sdf
pdb
5.3
± 0.2
RUN5016
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-d8472c4f-2_2
sdf
pdb
5.3
± 0.4
RUN5025
PET-UNK-29afea89-2_1
sdf
pdb
VLA-MRT-a639d434-1_1
sdf
pdb
5.3
± 0.5
RUN5106
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-827e7cb4-6_1
sdf
pdb
5.3
± 0.2
RUN952
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-12_3
sdf
pdb
5.3
± 0.2
RUN962
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-15_2
sdf
pdb
5.4
± 0.2
RUN3468
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-e002e396-8_2
sdf
pdb
5.4
± 0.2
RUN4112
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-24_3
sdf
pdb
5.4
± 0.2
RUN2808
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ee07cf00-4_2
sdf
pdb
5.5
± 0.2
RUN2809
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ee07cf00-4_3
sdf
pdb
5.5
± 0.1
RUN2925
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-2_4
sdf
pdb
5.5
± 0.2
Last updated 2021-06-04T18:13:56.580002+00:00
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