COVID Moonshot Sprint 11
Summary
Compounds
Microstates
Transformations
Reliable Transformations
(current)
Retrospective Transformations
Retrospective Compounds
Reliable Transformations
Showing 401 through 487 of 87
RUN
Atom map
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Bootstrapping
Convergence
RUN569
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c7726e07-6_2
pdb
4.8
± 0.3
RUN722
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-6_2
pdb
4.9
± 0.5
RUN873
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-13_2
pdb
4.9
± 0.5
RUN502
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-e78d5f1a-1_1
pdb
4.96
± 0.10
RUN610
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b4dec3be-1_1
pdb
5.0
± 0.3
RUN648
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-69786b79-2_1
pdb
5.0
± 0.2
RUN557
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-7_2
pdb
5.0
± 0.1
RUN492
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-a6bab6fb-1_2
pdb
5.01
± 0.09
RUN846
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-15_2
pdb
5.0
± 0.5
RUN490
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-159244ea-2_1
pdb
5.10
± 0.09
RUN933
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-2_2
pdb
5.1
± 0.7
RUN570
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-12_2
pdb
5.1
± 0.2
RUN950
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_5
pdb
5.2
± 0.7
RUN895
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-11_1
pdb
5.2
± 0.5
RUN837
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-6_1
pdb
5.2
± 0.5
RUN680
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_3
pdb
5.2
± 0.4
RUN922
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-9_1
pdb
5.2
± 0.4
RUN839
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-1_2
pdb
5.2
± 0.4
RUN560
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-7_1
pdb
5.2
± 0.1
RUN848
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-8_2
pdb
5.3
± 0.4
RUN762
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-69786b79-4_2
pdb
5.3
± 0.3
RUN499
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-f3cfbbb5-1_2
pdb
5.36
± 0.09
RUN488
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-983b399a-2_1
pdb
5.36
± 0.09
RUN591
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-b4d6b7fc-6_2
pdb
5.4
± 0.3
RUN595
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1d5ab790-2_1
pdb
5.4
± 0.3
RUN501
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-e78d5f1a-1_2
pdb
5.40
± 0.08
RUN566
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-12_1
pdb
5.4
± 0.3
RUN866
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-3_1
pdb
5.4
± 0.3
RUN814
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-a12e3a20-1_1
pdb
5.4
± 0.3
RUN683
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_4
pdb
5.4
± 0.3
RUN681
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_2
pdb
5.4
± 0.4
RUN587
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-b4d6b7fc-6_1
pdb
5.5
± 0.3
RUN487
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-983b399a-2_2
pdb
5.52
± 0.09
RUN548
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_4
pdb
5.5
± 0.2
RUN635
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-7_1
pdb
5.6
± 0.2
RUN567
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_3
pdb
5.6
± 0.2
RUN544
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_2
pdb
5.6
± 0.2
RUN498
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-f3cfbbb5-1_1
pdb
5.63
± 0.08
RUN489
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-159244ea-2_2
pdb
5.65
± 0.10
RUN733
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-13_2
pdb
5.6
± 0.4
RUN798
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-22_2
pdb
5.7
± 0.4
RUN867
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-6_1
pdb
5.7
± 0.4
RUN737
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-00af8776-1_2
pdb
5.8
± 0.4
RUN563
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_4
pdb
5.9
± 0.2
RUN943
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-3_3
pdb
5.9
± 0.8
RUN617
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b4dec3be-2_1
pdb
6.0
± 0.3
RUN792
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-8_2
pdb
6.0
± 0.6
RUN599
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1d5ab790-2_2
pdb
6.0
± 0.3
RUN640
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-14_1
pdb
6.0
± 0.3
RUN564
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c7726e07-5_1
pdb
6.1
± 0.3
RUN678
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_1
pdb
6.2
± 0.3
RUN875
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-11_2
pdb
6.2
± 0.5
RUN684
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-94fddcec-6_1
pdb
6.2
± 0.2
RUN740
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-10_2
pdb
6.2
± 0.8
RUN869
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-6_2
pdb
6.2
± 0.5
RUN562
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_1
pdb
6.2
± 0.2
RUN559
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_2
pdb
6.3
± 0.2
RUN817
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-98c0a822-1_2
pdb
6.3
± 0.4
RUN799
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-8_1
pdb
6.6
± 0.6
RUN815
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-98c0a822-1_1
pdb
6.8
± 0.6
RUN672
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-7_2
pdb
6.8
± 0.2
RUN669
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-7_1
pdb
6.8
± 0.4
RUN542
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_1
pdb
7.0
± 0.2
RUN834
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-ed2cfb03-1_2
pdb
7.1
± 0.6
RUN546
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_3
pdb
7.1
± 0.2
RUN671
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-14_1
pdb
7.3
± 0.4
RUN795
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-5_1
pdb
7.3
± 0.7
RUN731
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-0c930815-1_2
pdb
7.5
± 0.4
RUN758
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-3_1
pdb
7.5
± 0.6
RUN739
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-1_2
pdb
7.6
± 0.4
RUN732
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-0c930815-1_1
pdb
7.7
± 0.4
RUN786
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-5_1
pdb
7.9
± 0.3
RUN835
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-1_1
pdb
7.9
± 0.4
RUN911
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-1_2
pdb
7.9
± 0.3
RUN596
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-1_1
pdb
8.2
± 0.2
RUN705
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-2_1
pdb
8.5
± 0.2
RUN734
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-00af8776-1_1
pdb
8.5
± 0.4
RUN768
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-3_2
pdb
8.5
± 0.5
RUN742
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-1_1
pdb
8.6
± 0.4
RUN673
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-14_2
pdb
8.7
± 0.2
RUN802
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-2_1
pdb
8.9
± 0.7
RUN907
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-3_2
pdb
8.9
± 0.5
RUN889
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-4_1
pdb
10.1
± 0.4
RUN904
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-1_1
pdb
10.3
± 0.5
RUN905
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-3_1
pdb
10.5
± 0.5
RUN804
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-2_2
pdb
10.6
± 0.5
RUN893
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-4_2
pdb
11.8
± 0.6
Last updated 2022-01-08T06:37:21.173141+00:00
Generated by
fah-xchem
version pre-sprint-5+122.gaf80f5c