COVID Moonshot Sprint 11
Summary
Compounds
Microstates
Transformations
Reliable Transformations
(current)
Retrospective Transformations
Retrospective Compounds
Reliable Transformations
Showing 101 through 200 of 100
RUN
Atom map
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Bootstrapping
Convergence
RUN1876
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-4_1
pdb
−0.5
± 0.3
RUN1465
map
VLA-UCB-50c39ae8-2_1
pdb
DAR-DIA-6be260fc-5_1
pdb
−0.5
± 0.1
RUN1484
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-90505e2b-1_1
pdb
−0.52
± 0.06
RUN1576
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-3_1
pdb
−0.5
± 0.1
RUN1542
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-11_1
pdb
−0.5
± 0.2
RUN1596
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-2_1
pdb
−0.5
± 0.2
RUN1610
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-1_1
pdb
−0.5
± 0.2
RUN1872
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-2_2
pdb
−0.5
± 0.5
RUN1469
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-159244ea-1_1
pdb
−0.47
± 0.10
RUN1521
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-2_1
pdb
−0.5
± 0.1
RUN1844
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-1_1
pdb
−0.4
± 0.4
RUN1895
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-10_1
pdb
−0.4
± 0.4
RUN1523
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-8_1
pdb
−0.4
± 0.1
RUN1604
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-7_1
pdb
−0.4
± 0.1
RUN1583
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-4_2
pdb
−0.4
± 0.2
RUN1689
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-5_2
pdb
−0.4
± 0.2
RUN1638
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8c3e556a-1_1
pdb
−0.4
± 0.2
RUN1804
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-1_4
pdb
−0.3
± 0.6
RUN1561
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-b4d6b7fc-6_1
pdb
−0.3
± 0.3
RUN1567
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-4_1
pdb
−0.3
± 0.2
RUN1875
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-2_2
pdb
−0.3
± 0.4
RUN1688
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-5_1
pdb
−0.3
± 0.2
RUN1669
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-7_1
pdb
−0.3
± 0.2
RUN1643
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-7_1
pdb
−0.3
± 0.4
RUN1873
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-2_2
pdb
−0.3
± 0.4
RUN1912
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-2_2
pdb
−0.3
± 0.7
RUN1882
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-3_1
pdb
−0.3
± 0.2
RUN1480
map
VLA-UCB-50c39ae8-2_1
pdb
BRU-THA-55eab31a-1_1
pdb
−0.3
± 0.1
RUN1734
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-98c0a822-4_1
pdb
−0.3
± 0.2
RUN1578
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-7e9559de-1_2
pdb
−0.2
± 0.2
RUN1653
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-8_1
pdb
−0.2
± 0.3
RUN1718
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-16_3
pdb
−0.2
± 0.6
RUN1838
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-3_2
pdb
−0.2
± 0.6
RUN1559
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-3_1
pdb
−0.2
± 0.3
RUN1563
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-14142a25-1_1
pdb
−0.1
± 0.3
RUN1723
map
VLA-UCB-50c39ae8-2_1
pdb
MIK-ENA-5d9157e9-1_1
pdb
−0.1
± 0.5
RUN1681
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-6_1
pdb
−0.1
± 0.4
RUN1648
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-4_2
pdb
−0.1
± 0.3
RUN1833
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-3_1
pdb
−0.0
± 0.4
RUN1691
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-7_1
pdb
−0.0
± 0.3
RUN1482
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-94643566-1_1
pdb
−0.02
± 0.02
RUN1795
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-98c0a822-2_2
pdb
−0.0
± 0.3
RUN1764
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-13_2
pdb
−0.0
± 0.4
RUN1481
map
VLA-UCB-50c39ae8-2_1
pdb
BEN-BAS-c2bc0d80-6_1
pdb
0.00
± 0.02
RUN1893
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-4_2
pdb
0.0
± 0.5
RUN1722
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-21_1
pdb
0.0
± 0.5
RUN1650
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-4_1
pdb
0.0
± 0.2
RUN1644
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-6_1
pdb
0.0
± 0.2
RUN1904
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-2_2
pdb
0.0
± 0.9
RUN1712
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-10_1
pdb
0.0
± 0.5
RUN1479
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-50c39ae8-2_1
pdb
0.04
± 0.04
RUN1806
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-ed2cfb03-1_1
pdb
0.0
± 0.4
RUN1494
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-56836b69-2_1
pdb
0.1
± 0.1
RUN1478
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-05e51b3f-5_1
pdb
0.05
± 0.04
RUN1866
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-2_1
pdb
0.1
± 0.3
RUN1499
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-3a43cd95-3_1
pdb
0.10
± 0.09
RUN1899
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-10_2
pdb
0.1
± 0.7
RUN1859
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-3_4
pdb
0.2
± 0.5
RUN1528
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-a639d434-2_2
pdb
0.2
± 0.3
RUN1707
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-13_2
pdb
0.2
± 0.6
RUN1598
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-3_1
pdb
0.2
± 0.2
RUN1611
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-94fddcec-7_1
pdb
0.2
± 0.3
RUN1636
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-5_4
pdb
0.2
± 0.3
RUN1772
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-22_2
pdb
0.2
± 0.3
RUN1645
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-14_1
pdb
0.2
± 0.3
RUN1753
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-b4d6b7fc-7_1
pdb
0.3
± 0.3
RUN1574
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-7e9559de-1_1
pdb
0.3
± 0.2
RUN1649
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-34f3ed0c-15_1
pdb
0.3
± 0.4
RUN1790
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-4_1
pdb
0.3
± 0.5
RUN1487
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-ec6d90b7-2_1
pdb
0.30
± 0.07
RUN1862
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-15_1
pdb
0.3
± 0.5
RUN1690
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-d4864bdc-4_1
pdb
0.3
± 0.3
RUN1794
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-98c0a822-2_1
pdb
0.3
± 0.3
RUN1577
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-7e9559de-4_2
pdb
0.4
± 0.2
RUN1673
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-4_1
pdb
0.4
± 0.2
RUN1637
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ede5c6cb-1_1
pdb
0.4
± 0.3
RUN1659
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-17_2
pdb
0.4
± 0.3
RUN1698
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-17_2
pdb
0.4
± 0.4
RUN1773
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-8_1
pdb
0.4
± 0.5
RUN1474
map
VLA-UCB-50c39ae8-2_1
pdb
BRU-THA-73c97d88-1_1
pdb
0.44
± 0.08
RUN1856
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-1_2
pdb
0.4
± 0.4
RUN1855
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-2_1
pdb
0.5
± 0.2
RUN1812
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-11_1
pdb
0.5
± 0.3
RUN1861
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-16_1
pdb
0.5
± 0.4
RUN1745
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-2_1
pdb
0.5
± 0.4
RUN1727
map
VLA-UCB-50c39ae8-2_1
pdb
MIK-ENA-5d9157e9-2_2
pdb
0.5
± 0.4
RUN1757
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-10_1
pdb
0.5
± 0.5
RUN1835
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_4
pdb
0.5
± 0.6
RUN1783
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-b4d6b7fc-7_2
pdb
0.5
± 0.4
RUN1932
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_6
pdb
0.5
± 0.8
RUN1517
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-d7486dd1-1_2
pdb
0.5
± 0.2
RUN1495
map
VLA-UCB-50c39ae8-2_1
pdb
BEN-BAS-c2bc0d80-7_1
pdb
0.6
± 0.1
RUN1525
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-4_2
pdb
0.6
± 0.2
RUN1485
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-ec6d90b7-1_1
pdb
0.58
± 0.05
RUN1588
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-1_1
pdb
0.6
± 0.3
RUN1617
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-18_4
pdb
0.6
± 0.6
RUN1891
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-1_2
pdb
0.6
± 0.5
RUN1887
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-19_2
pdb
0.6
± 0.6
RUN1665
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-12_1
pdb
0.6
± 0.3
RUN1710
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-16_2
pdb
0.6
± 0.3
Last updated 2022-01-08T06:54:59.612175+00:00
Generated by
fah-xchem
version pre-sprint-5+122.gaf80f5c