COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 1101 through 1200 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN713
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-ffc90da7-7_4
sdf
pdb
−1.1
± 0.3
RUN1324
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-17_1
sdf
pdb
−1.1
± 0.2
RUN576
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-a5c7d7cb-4_1
sdf
pdb
−1.1
± 0.3
RUN1268
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-6_2
sdf
pdb
−1.1
± 0.3
RUN3129
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-11_1
sdf
pdb
−1.1
± 0.2
RUN2288
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-80f122c8-3_1
sdf
pdb
−1.1
± 0.5
RUN122
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-c9c1e0d8-4_1
sdf
pdb
−1.1
± 0.3
RUN3303
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-70dd90ef-2_1
sdf
pdb
−1.1
± 0.2
RUN3286
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-78e1d523-4_1
sdf
pdb
−1.1
± 0.2
RUN417
PET-UNK-29afea89-2_1
sdf
pdb
FRA-DIA-0fa076fe-1_1
sdf
pdb
−1.1
± 0.5
RUN3302
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-70dd90ef-1_1
sdf
pdb
−1.1
± 0.1
RUN3027
PET-UNK-29afea89-2_1
sdf
pdb
MAR-UCB-6ab2ec87-4_1
sdf
pdb
−1.1
± 0.3
RUN4110
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-24_2
sdf
pdb
−1.1
± 0.3
RUN2239
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-2_5
sdf
pdb
−1.1
± 0.2
RUN3417
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-f6ee7aeb-4_4
sdf
pdb
−1.1
± 0.2
RUN3275
PET-UNK-29afea89-2_1
sdf
pdb
NIR-THE-3fc2bec4-1_1
sdf
pdb
−1.0
± 0.1
RUN1799
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-91_1
sdf
pdb
−1.0
± 0.4
RUN3244
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0f2f46c9-10_3
sdf
pdb
−1.0
± 0.2
RUN3355
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-10_1
sdf
pdb
−1.0
± 0.2
RUN1088
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-67d4a29a-2_1
sdf
pdb
−1.0
± 0.3
RUN2148
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fce787c2-4_2
sdf
pdb
−1.0
± 0.4
RUN1450
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-9e4459de-15_10
sdf
pdb
−1.0
± 0.3
RUN1210
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-c852c98b-5_1
sdf
pdb
−1.0
± 0.3
RUN2383
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-2da19ca7-7_4
sdf
pdb
−1.0
± 0.4
RUN858
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-32_9
sdf
pdb
−1.0
± 0.2
RUN1335
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-34_1
sdf
pdb
−1.0
± 0.2
RUN521
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-1_1
sdf
pdb
−1.0
± 0.4
RUN1389
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-4ce8bf23-1_1
sdf
pdb
−1.0
± 0.2
RUN3296
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-3b97339c-2_1
sdf
pdb
−1.0
± 0.1
RUN1121
PET-UNK-29afea89-2_1
sdf
pdb
JOH-SUS-a69c159d-3_2
sdf
pdb
−1.0
± 0.2
RUN51
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-ce40166b-12_1
sdf
pdb
−1.0
± 0.2
RUN3191
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-3a43cd95-4_1
sdf
pdb
−1.0
± 0.1
RUN211
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-4d77710c-27_1
sdf
pdb
−1.0
± 0.2
RUN340
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-6a508060-5_1
sdf
pdb
−1.0
± 0.5
RUN345
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-6a508060-8_2
sdf
pdb
−1.0
± 0.4
RUN2273
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-13_7
sdf
pdb
−1.0
± 0.2
RUN3267
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-9739a092-3_1
sdf
pdb
−1.0
± 0.1
RUN110
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-2492181e-10_4
sdf
pdb
−1.0
± 0.2
RUN2464
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-0676e700-18_2
sdf
pdb
−1.0
± 0.3
RUN4694
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-1981ceba-4_2
sdf
pdb
−1.0
± 0.2
RUN4640
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-ea4eb352-4_1
sdf
pdb
−1.0
± 0.2
RUN943
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-10_3
sdf
pdb
−1.0
± 0.3
RUN1253
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-8416115c-2_3
sdf
pdb
−1.0
± 0.2
RUN1519
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-08fa0751-1_1
sdf
pdb
−1.0
± 0.3
RUN2202
PET-UNK-29afea89-2_1
sdf
pdb
LEE-CAM-7ab9b158-1_3
sdf
pdb
−1.0
± 0.4
RUN3071
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-f37eaa14-9_2
sdf
pdb
−1.0
± 0.2
RUN2449
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-0676e700-5_1
sdf
pdb
−1.0
± 0.4
RUN2230
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-2905de8c-2_2
sdf
pdb
−1.0
± 0.5
RUN2741
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-30_2
sdf
pdb
−1.0
± 0.1
RUN2490
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ea72002d-4_2
sdf
pdb
−1.0
± 0.3
RUN959
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-15_1
sdf
pdb
−0.99
± 0.08
RUN556
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-cdc2493e-14_2
sdf
pdb
−1.0
± 0.3
RUN3913
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-009f762b-4_2
sdf
pdb
−1.0
± 0.1
RUN1540
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-12_1
sdf
pdb
−1.0
± 0.3
RUN3562
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-a0a4abd7-1_2
sdf
pdb
−1.0
± 0.2
RUN1173
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-4b8a177c-1_1
sdf
pdb
−1.0
± 0.3
RUN3207
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-f893e2a1-7_2
sdf
pdb
−1.0
± 0.2
RUN3517
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-0a05c952-3_6
sdf
pdb
−1.0
± 0.2
RUN3673
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-a02b439d-15_2
sdf
pdb
−1.0
± 0.1
RUN614
PET-UNK-29afea89-2_1
sdf
pdb
ADA-UCB-dc2b944c-16_1
sdf
pdb
−1.0
± 0.3
RUN96
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-2492181e-5_1
sdf
pdb
−1.0
± 0.4
RUN3278
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-9739a092-9_1
sdf
pdb
−1.0
± 0.1
RUN2716
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-25_5
sdf
pdb
−1.0
± 0.1
RUN880
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0d514e7d-33_1
sdf
pdb
−1.0
± 0.3
RUN1360
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-51_1
sdf
pdb
−1.0
± 0.2
RUN4761
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-ddc6ad53-2_2
sdf
pdb
−1.0
± 0.3
RUN3705
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-14_1
sdf
pdb
−1.0
± 0.2
RUN4628
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-a577c8a2-3_1
sdf
pdb
−1.0
± 0.3
RUN1212
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ea1df7a8-1_1
sdf
pdb
−1.0
± 0.3
RUN995
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-18_6
sdf
pdb
−1.0
± 0.3
RUN1688
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-24_1
sdf
pdb
−1.0
± 0.2
RUN651
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-28ec730d-1_1
sdf
pdb
−1.0
± 0.3
RUN1515
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fab80cf2-1_2
sdf
pdb
−1.0
± 0.2
RUN3388
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-0587064e-27_2
sdf
pdb
−1.0
± 0.2
RUN297
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-e4b030d8-13_1
sdf
pdb
−1.0
± 0.3
RUN3750
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-11_4
sdf
pdb
−1.0
± 0.2
RUN2633
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-4_8
sdf
pdb
−1.0
± 0.3
RUN144
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-53551c05-11_1
sdf
pdb
−1.0
± 0.3
RUN3086
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UNK-9a7dc93f-4_1
sdf
pdb
−1.0
± 0.2
RUN474
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-91acba05-4_1
sdf
pdb
−1.0
± 0.3
RUN1109
PET-UNK-29afea89-2_1
sdf
pdb
NAU-LAT-2fed8305-3_2
sdf
pdb
−0.9
± 0.4
RUN4018
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-9_10
sdf
pdb
−0.9
± 0.2
RUN2445
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-5bb456a5-9_2
sdf
pdb
−0.9
± 0.4
RUN2596
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d203f206-35_1
sdf
pdb
−0.9
± 0.4
RUN415
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-23e5a6a0-7_2
sdf
pdb
−0.9
± 0.3
RUN88
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-b5746674-108_1
sdf
pdb
−0.9
± 0.3
RUN1472
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-971238d3-7_1
sdf
pdb
−0.9
± 0.3
RUN1100
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-d6de1f3c-7_2
sdf
pdb
−0.9
± 0.3
RUN3111
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-4_1
sdf
pdb
−0.9
± 0.3
RUN2545
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-fcba3f31-8_1
sdf
pdb
−0.9
± 0.5
RUN2258
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-6_2
sdf
pdb
−0.9
± 0.4
RUN129
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-c66144cb-1_2
sdf
pdb
−0.9
± 0.3
RUN324
PET-UNK-29afea89-2_1
sdf
pdb
VLA-UCB-05e51b3f-14_1
sdf
pdb
−0.9
± 0.3
RUN3177
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fb82b63d-4_1
sdf
pdb
−0.9
± 0.3
RUN3049
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-b3e6b0c2-13_2
sdf
pdb
−0.9
± 0.2
RUN2508
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-2_7
sdf
pdb
−0.9
± 0.4
RUN4624
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-61f37a1a-15_1
sdf
pdb
−0.9
± 0.3
RUN3178
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-00143744-2_1
sdf
pdb
−0.9
± 0.1
RUN4037
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-11_9
sdf
pdb
−0.92
± 0.09
RUN1598
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-51_1
sdf
pdb
−0.9
± 0.4
Last updated 2021-06-04T18:13:56.580002+00:00
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