COVID Moonshot Sprint 12
Summary
Compounds
Microstates
Transformations
(current)
Reliable Transformations
Retrospective Transformations
Retrospective Compounds
Transformations
Showing 701 through 800 of 100
RUN
Atom map
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Bootstrapping
Convergence
RUN528
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-3_1
pdb
−0.3
± 0.4
RUN905
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-853c0ffa-12_1
pdb
−0.3
± 0.8
RUN243
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-61877630-4_1
pdb
−0.3
± 0.3
RUN406
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-40e596c8-3_2
pdb
−0.3
± 0.6
RUN110
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-50a80394-4_2
pdb
−0.3
± 0.4
RUN883
map
MAT-POS-c7726e07-5_1
pdb
MIK-ENA-edcfce18-1_1
pdb
−0.3
± 0.9
RUN146
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-5d8210f0-2_1
pdb
−0.25
± 0.06
RUN676
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-12_1
pdb
−0.2
± 0.3
RUN90
map
MAT-POS-c7726e07-5_1
pdb
PET-UNK-14142a25-10_1
pdb
−0.2
± 0.3
RUN233
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-ede5c6cb-1_1
pdb
−0.2
± 0.4
RUN895
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-33064c06-4_1
pdb
−0.2
± 0.3
RUN721
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-ecbed2ba-15_1
pdb
−0.2
± 1.0
RUN360
map
MAT-POS-c7726e07-5_1
pdb
LUO-POS-e1dab717-3_1
pdb
−0.2
± 0.2
RUN567
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-853c0ffa-13_1
pdb
−0.2
± 0.9
RUN642
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-59d5ca70-2_1
pdb
−0.2
± 0.4
RUN1010
map
MAT-POS-c7726e07-5_1
pdb
MIC-UNK-c85ea37c-1_1
pdb
−0.2
± 0.9
RUN517
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-40e596c8-4_1
pdb
−0.2
± 0.3
RUN1060
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-468565e0-5_1
pdb
−0.2
± 1.0
RUN425
map
MAT-POS-c7726e07-5_1
pdb
MIK-ENA-5d9157e9-1_1
pdb
−0.2
± 0.6
RUN66
map
MAT-POS-c7726e07-5_1
pdb
PET-UNK-626a1084-1_1
pdb
−0.2
± 0.2
RUN871
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-4138fde9-3_2
pdb
−0.2
± 0.4
RUN643
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-59d5ca70-2_1
pdb
−0.2
± 0.4
RUN171
map
MAT-POS-c7726e07-5_1
pdb
EDG-MED-b1ef7fe3-3_1
pdb
−0.2
± 0.4
RUN901
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-33064c06-5_1
pdb
−0.2
± 0.4
RUN645
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-40e596c8-5_1
pdb
−0.2
± 0.3
RUN287
map
MAT-POS-c7726e07-5_1
pdb
JOH-MSK-4bb3d434-2_1
pdb
−0.1
± 0.3
RUN878
map
MAT-POS-c7726e07-5_1
pdb
MIK-ENA-e143773d-1_1
pdb
−0.1
± 0.7
RUN794
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-59d5ca70-1_1
pdb
−0.1
± 0.2
RUN8
map
MAT-POS-c7726e07-5_1
pdb
VLA-UCB-05e51b3f-5_1
pdb
−0.1
± 0.2
RUN764
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-f2612802-1_2
pdb
−0.1
± 0.5
RUN684
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-16_1
pdb
−0.1
± 0.3
RUN515
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-40e596c8-2_2
pdb
−0.1
± 0.6
RUN803
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-21_1
pdb
−0.1
± 0.2
RUN111
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-50a80394-4_2
pdb
−0.1
± 0.4
RUN655
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-8_2
pdb
−0.1
± 0.3
RUN531
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-3_1
pdb
−0.1
± 0.3
RUN802
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-20_1
pdb
−0.1
± 0.6
RUN501
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-6b23330e-5_1
pdb
−0.1
± 0.2
RUN155
map
MAT-POS-c7726e07-5_1
pdb
JOH-MSK-4bb3d434-1_1
pdb
−0.1
± 0.3
RUN811
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-21_1
pdb
−0.1
± 0.3
RUN554
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-b4d6b7fc-7_1
pdb
−0.1
± 0.7
RUN519
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-40e596c8-4_1
pdb
−0.1
± 0.3
RUN829
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-33064c06-11_1
pdb
−0.0
± 0.5
RUN261
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-566864e2-3_1
pdb
−0.0
± 0.2
RUN364
map
MAT-POS-c7726e07-5_1
pdb
LUO-POS-e1dab717-11_1
pdb
−0.0
± 0.5
RUN653
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-6_1
pdb
−0.0
± 0.2
RUN897
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-33064c06-5_1
pdb
−0.0
± 0.4
RUN53
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-c7726e07-5_1
pdb
−0.00
± 0.02
RUN48
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-c7726e07-5_1
pdb
−0.00
± 0.02
RUN59
map
MAT-POS-c7726e07-5_1
pdb
LUO-POS-868e8996-11_1
pdb
−0.00
± 0.04
RUN628
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-6b23330e-3_1
pdb
−0.0
± 0.2
RUN58
map
MAT-POS-c7726e07-5_1
pdb
LUO-POS-868e8996-11_1
pdb
0.00
± 0.02
RUN551
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-1bed62cf-1_1
pdb
0.0
± 0.9
RUN499
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-6b23330e-5_1
pdb
0.0
± 0.2
RUN50
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-c7726e07-5_1
pdb
0.01
± 0.04
RUN43
map
MAT-POS-c7726e07-5_1
pdb
LUO-POS-e1dab717-19_1
pdb
0.0
± 0.2
RUN57
map
MAT-POS-c7726e07-5_1
pdb
LUO-POS-868e8996-11_1
pdb
0.02
± 0.03
RUN904
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-853c0ffa-12_1
pdb
0.0
± 0.8
RUN853
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-5cd3920d-2_1
pdb
0.0
± 0.8
RUN832
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-33064c06-11_1
pdb
0.0
± 0.5
RUN241
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-61877630-4_1
pdb
0.0
± 0.3
RUN984
map
MAT-POS-c7726e07-5_1
pdb
MIK-ENA-8063e9dc-1_1
pdb
0.1
± 0.7
RUN353
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-566864e2-2_1
pdb
0.1
± 0.3
RUN183
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-ecbed2ba-7_1
pdb
0.1
± 0.2
RUN649
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-8_2
pdb
0.1
± 0.4
RUN1003
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-4138fde9-4_1
pdb
0.1
± 0.6
RUN577
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-ecbed2ba-22_1
pdb
0.1
± 0.7
RUN73
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-3bd6fc51-1_1
pdb
0.1
± 0.2
RUN339
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-f2612802-3_1
pdb
0.1
± 0.4
RUN850
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-38eb6498-4_1
pdb
0.1
± 0.5
RUN582
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-be048f2c-6_1
pdb
0.1
± 0.4
RUN613
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-61877630-8_1
pdb
0.1
± 0.8
RUN618
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-e334495f-1_1
pdb
0.1
± 0.8
RUN399
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-c3a90b22-4_1
pdb
0.1
± 0.2
RUN1078
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-468565e0-3_1
pdb
0
± 1
RUN107
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-50a80394-4_1
pdb
0.1
± 0.3
RUN475
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-8e615992-5_1
pdb
0.1
± 0.3
RUN755
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-b6c6ee2b-3_1
pdb
0.1
± 0.9
RUN624
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-e334495f-2_1
pdb
0.2
± 0.7
RUN352
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-566864e2-2_1
pdb
0.2
± 0.3
RUN873
map
MAT-POS-c7726e07-5_1
pdb
MIK-ENA-be04d1d4-1_1
pdb
0.2
± 0.8
RUN134
map
MAT-POS-c7726e07-5_1
pdb
JOH-MSK-1f2dff76-2_1
pdb
0.2
± 0.4
RUN190
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-ecbed2ba-20_1
pdb
0.2
± 0.9
RUN620
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-8e615992-4_1
pdb
0.2
± 0.2
RUN75
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-8bb691af-8_1
pdb
0.2
± 0.3
RUN193
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-69786b79-2_1
pdb
0.2
± 0.3
RUN573
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-ecbed2ba-8_1
pdb
0.2
± 0.9
RUN1008
map
MAT-POS-c7726e07-5_1
pdb
MIC-UNK-c85ea37c-1_2
pdb
0.2
± 0.9
RUN722
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-ecbed2ba-1_1
pdb
0.2
± 0.8
RUN478
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-8e615992-5_1
pdb
0.2
± 0.3
RUN71
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-3bd6fc51-1_1
pdb
0.2
± 0.2
RUN566
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-853c0ffa-7_1
pdb
0.2
± 0.6
RUN206
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-576f7758-1_1
pdb
0.2
± 0.2
RUN151
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-5d8210f0-2_1
pdb
0.2
± 0.1
RUN299
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-94fddcec-6_1
pdb
0.3
± 0.5
RUN612
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-61877630-7_1
pdb
0.3
± 0.9
RUN467
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-61877630-6_1
pdb
0.3
± 0.2
RUN135
map
MAT-POS-c7726e07-5_1
pdb
JOH-MSK-1f2dff76-2_1
pdb
0.3
± 0.3
RUN1046
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-4138fde9-6_1
pdb
0.3
± 0.6
RUN564
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-853c0ffa-13_1
pdb
0.3
± 0.9
Last updated 2022-02-18T20:07:25.327771+00:00
Generated by
fah-xchem
version pre-sprint-5+177.gc0e6636.dirty