COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
Reliable transformations
(current)
Retrospective transformations
Reliable Transformations
Showing 3701 through 3800 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN1480
PET-UNK-29afea89-2_1
sdf
pdb
BEN-DND-a7517465-4_1
sdf
pdb
1.5
± 0.4
RUN4225
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-923a35c2-4_3
sdf
pdb
1.5
± 0.3
RUN2171
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-76695c4f-5_1
sdf
pdb
1.5
± 0.3
RUN2936
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-2_13
sdf
pdb
1.52
± 0.08
RUN2029
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-11_2
sdf
pdb
1.5
± 0.6
RUN1854
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-109_4
sdf
pdb
1.5
± 0.4
RUN1578
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-38_2
sdf
pdb
1.5
± 0.4
RUN4378
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-6e27fddc-6_1
sdf
pdb
1.5
± 0.3
RUN5048
PET-UNK-29afea89-2_1
sdf
pdb
ROB-CAM-4c532489-1_3
sdf
pdb
1.5
± 0.4
RUN3274
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-9739a092-8_2
sdf
pdb
1.5
± 0.3
RUN4124
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-27_4
sdf
pdb
1.5
± 0.4
RUN4565
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-0047eae5-1_1
sdf
pdb
1.5
± 0.3
RUN1664
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-10_1
sdf
pdb
1.6
± 0.5
RUN2962
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-6_2
sdf
pdb
1.6
± 0.2
RUN2576
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d203f206-12_1
sdf
pdb
1.6
± 0.4
RUN5013
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-d8472c4f-4_1
sdf
pdb
1.6
± 0.4
RUN2088
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-1_2
sdf
pdb
1.6
± 0.4
RUN5119
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-37660950-4_1
sdf
pdb
1.6
± 0.4
RUN3514
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-0a05c952-3_2
sdf
pdb
1.6
± 0.2
RUN3499
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-0a05c952-1_4
sdf
pdb
1.6
± 0.2
RUN4229
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-923a35c2-5_4
sdf
pdb
1.6
± 0.2
RUN1847
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-108_2
sdf
pdb
1.6
± 0.5
RUN1823
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-96_1
sdf
pdb
1.6
± 0.4
RUN5110
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-37660950-2_1
sdf
pdb
1.6
± 0.2
RUN4148
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-34_1
sdf
pdb
1.6
± 0.2
RUN72
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-b5746674-38_1
sdf
pdb
1.6
± 0.2
RUN4896
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-67d5babe-5_3
sdf
pdb
1.6
± 0.2
RUN1734
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-53_2
sdf
pdb
1.6
± 0.5
RUN2068
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-32_1
sdf
pdb
1.6
± 0.4
RUN2118
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-8a629cb0-35_1
sdf
pdb
1.6
± 0.4
RUN3444
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-15e90dfc-5_1
sdf
pdb
1.6
± 0.1
Last updated 2021-06-04T18:13:56.580002+00:00
Generated by
fah-xchem
version 0.1.0+79.gd44a60c.dirty