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
RUN1811
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-6_1
pdb
2.8
± 0.5
RUN1702
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-4_1
pdb
2.8
± 0.2
RUN1660
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-3_1
pdb
2.9
± 0.3
RUN1813
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-1_2
pdb
2.9
± 0.5
RUN1565
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-b4d6b7fc-6_2
pdb
2.9
± 0.3
RUN1746
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-9_2
pdb
2.9
± 0.5
RUN1553
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-9_1
pdb
2.9
± 0.2
RUN1898
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-2_1
pdb
2.9
± 0.7
RUN1493
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-4_1
pdb
3.0
± 0.2
RUN1477
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-a6bab6fb-1_1
pdb
3.0
± 0.1
RUN1842
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-11_1
pdb
3.0
± 0.5
RUN1572
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-afe0272e-1_2
pdb
3.0
± 0.4
RUN1656
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-94fddcec-6_2
pdb
3.0
± 0.3
RUN1824
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_1
pdb
3.0
± 0.3
RUN1821
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-1_2
pdb
3.1
± 0.6
RUN1531
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-7_2
pdb
3.1
± 0.2
RUN1837
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7e491f08-1_2
pdb
3.1
± 0.8
RUN1658
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-94fddcec-6_1
pdb
3.1
± 0.4
RUN1703
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-21_2
pdb
3.1
± 0.4
RUN1908
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-4_1
pdb
3.1
± 0.6
RUN1820
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-15_2
pdb
3.2
± 0.5
RUN1802
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-11_2
pdb
3.2
± 0.4
RUN1527
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-3_1
pdb
3.2
± 0.3
RUN1774
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-18_1
pdb
3.2
± 0.4
RUN1647
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-14_2
pdb
3.2
± 0.3
RUN1580
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-4_3
pdb
3.2
± 0.4
RUN1853
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-20_2
pdb
3.3
± 0.3
RUN1472
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-f3cfbbb5-1_1
pdb
3.3
± 0.2
RUN1676
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-19_2
pdb
3.3
± 0.4
RUN1616
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-20_2
pdb
3.3
± 0.9
RUN1554
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-3_2
pdb
3.3
± 0.3
RUN1721
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-21_3
pdb
3.4
± 0.8
RUN1501
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-3_1
pdb
3.4
± 0.2
RUN1623
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-69786b79-2_2
pdb
3.4
± 0.3
RUN1462
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-983b399a-2_1
pdb
3.5
± 0.2
RUN1728
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-21_4
pdb
3.5
± 0.8
RUN1678
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-69786b79-3_2
pdb
3.5
± 0.4
RUN1865
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-12_2
pdb
3.6
± 0.5
RUN1807
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-5_2
pdb
3.6
± 0.5
RUN1942
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-2_2
pdb
3.6
± 0.6
RUN1701
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-4_2
pdb
3.6
± 0.6
RUN1680
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-19_4
pdb
3.7
± 0.6
RUN1652
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_1
pdb
3.7
± 0.4
RUN1706
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-0c930815-1_1
pdb
3.8
± 0.4
RUN1708
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-00af8776-1_1
pdb
3.8
± 0.4
RUN1468
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-159244ea-3_1
pdb
3.8
± 0.1
RUN1778
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-2_2
pdb
3.8
± 0.5
RUN1928
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-5_2
pdb
3.8
± 0.5
RUN1692
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-5_1
pdb
3.9
± 0.3
RUN1816
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-1_1
pdb
3.9
± 0.6
RUN1486
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-983b399a-3_1
pdb
3.9
± 0.1
RUN1520
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_3
pdb
3.9
± 0.3
RUN1657
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_4
pdb
4.0
± 0.5
RUN1550
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-ed2cfb03-2_2
pdb
4.1
± 0.6
RUN1935
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-3_1
pdb
4.1
± 0.4
RUN1713
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-1_2
pdb
4.1
± 0.7
RUN1808
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-ed2cfb03-1_2
pdb
4.2
± 0.8
RUN1766
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-8_2
pdb
4.2
± 0.6
RUN1679
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-2_1
pdb
4.3
± 0.2
RUN1541
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_3
pdb
4.3
± 0.3
RUN1654
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_3
pdb
4.4
± 0.3
RUN1534
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-7_1
pdb
4.4
± 0.2
RUN1879
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-3_1
pdb
4.5
± 0.7
RUN1533
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_2
pdb
4.5
± 0.3
RUN1716
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-1_1
pdb
4.7
± 0.4
RUN1705
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-0c930815-1_2
pdb
4.7
± 0.5
RUN1570
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-1_1
pdb
4.7
± 0.2
RUN1536
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_1
pdb
4.8
± 0.4
RUN1849
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-11_2
pdb
4.9
± 0.5
RUN1901
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-1_1
pdb
4.9
± 0.6
RUN1769
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-5_1
pdb
5.0
± 0.6
RUN1732
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-3_1
pdb
5.1
± 0.6
RUN1518
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_2
pdb
5.1
± 0.2
RUN1522
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_4
pdb
5.1
± 0.3
RUN1537
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_4
pdb
5.2
± 0.3
RUN1516
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_1
pdb
5.2
± 0.3
RUN1529
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-3_2
pdb
5.4
± 0.4
RUN1664
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-12_2
pdb
6.2
± 0.5
RUN1711
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-00af8776-1_2
pdb
6.4
± 0.5
RUN1742
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-3_2
pdb
7.1
± 0.7
RUN1916
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-3_2
pdb
7.1
± 0.6
RUN1885
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-1_2
pdb
8.5
± 0.5
RUN1878
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-1_1
pdb
8.7
± 0.3
RUN1881
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-3_2
pdb
9.7
± 0.6
RUN1863
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-4_1
pdb
10.6
± 0.4
RUN1776
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-2_1
pdb
11.4
± 0.3
RUN1867
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-4_2
pdb
11.5
± 0.6
Last updated 2022-01-08T06:54:59.612175+00:00
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