COVID Moonshot Sprint 11
Summary
Compounds
Microstates
Transformations
Reliable Transformations
(current)
Retrospective Transformations
Retrospective Compounds
Reliable Transformations
Showing 1 through 100 of 100
RUN
Atom map
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Bootstrapping
Convergence
RUN1905
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-1_2
pdb
−5.7
± 0.6
RUN1892
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-3_1
pdb
−4.7
± 0.5
RUN1927
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-3_2
pdb
−3.7
± 0.6
RUN1817
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-5_1
pdb
−3.4
± 0.4
RUN1907
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-2_2
pdb
−3.1
± 0.6
RUN1805
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7e491f08-2_1
pdb
−3.0
± 0.1
RUN1934
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-5_2
pdb
−3.0
± 0.7
RUN1755
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-2_1
pdb
−2.9
± 0.6
RUN1739
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-5_1
pdb
−2.8
± 0.1
RUN1801
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-8_1
pdb
−2.8
± 0.2
RUN1915
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-4_1
pdb
−2.7
± 0.6
RUN1759
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-6_1
pdb
−2.7
± 0.4
RUN1787
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-7_1
pdb
−2.7
± 0.2
RUN1714
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-10_2
pdb
−2.4
± 0.7
RUN1937
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-d1147590-1_2
pdb
−2.4
± 0.6
RUN1946
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-3_1
pdb
−2.3
± 0.3
RUN1938
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_7
pdb
−2.2
± 0.6
RUN1730
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-2_1
pdb
−2.1
± 0.2
RUN1902
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-1_2
pdb
−2.1
± 0.8
RUN1605
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-1_1
pdb
−2.0
± 0.1
RUN1731
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-4_1
pdb
−2.0
± 0.2
RUN1920
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-5_1
pdb
−1.9
± 0.3
RUN1883
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-8_1
pdb
−1.9
± 0.6
RUN1674
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-2_1
pdb
−1.8
± 0.1
RUN1651
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-1_1
pdb
−1.8
± 0.2
RUN1672
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-3_1
pdb
−1.8
± 0.2
RUN1914
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-4_2
pdb
−1.8
± 0.6
RUN1784
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-3_1
pdb
−1.8
± 0.5
RUN1854
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-3_2
pdb
−1.8
± 0.5
RUN1737
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-5_1
pdb
−1.8
± 0.2
RUN1780
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-6_1
pdb
−1.6
± 0.2
RUN1814
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-1_1
pdb
−1.6
± 0.4
RUN1827
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_3
pdb
−1.6
± 0.8
RUN1627
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-a12e3a20-2_1
pdb
−1.6
± 0.1
RUN1620
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-7_1
pdb
−1.6
± 0.1
RUN1903
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-2_1
pdb
−1.6
± 0.4
RUN1911
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-2_3
pdb
−1.5
± 0.6
RUN1910
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-2_4
pdb
−1.4
± 0.7
RUN1877
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-4_1
pdb
−1.4
± 0.6
RUN1491
map
VLA-UCB-50c39ae8-2_1
pdb
DAR-DIA-0f7b7cd9-9_1
pdb
−1.40
± 0.09
RUN1771
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-1_2
pdb
−1.3
± 0.4
RUN1900
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-1_1
pdb
−1.3
± 0.3
RUN1943
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-5_1
pdb
−1.3
± 0.8
RUN1639
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-2_1
pdb
−1.3
± 0.3
RUN1825
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-2_2
pdb
−1.3
± 0.4
RUN1666
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-576f7758-2_1
pdb
−1.3
± 0.2
RUN1922
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-2_1
pdb
−1.3
± 0.3
RUN1810
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-4_2
pdb
−1.2
± 0.4
RUN1924
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_5
pdb
−1.2
± 0.7
RUN1793
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-a12e3a20-1_2
pdb
−1.2
± 0.6
RUN1890
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-7_1
pdb
−1.2
± 0.5
RUN1839
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-4_1
pdb
−1.2
± 0.2
RUN1775
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-5_2
pdb
−1.1
± 0.8
RUN1925
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_1
pdb
−1.1
± 0.6
RUN1635
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-34f3ed0c-14_1
pdb
−1.1
± 0.2
RUN1642
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-6_1
pdb
−1.1
± 0.2
RUN1641
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8c3e556a-2_1
pdb
−1.1
± 0.2
RUN1897
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-9_2
pdb
−1.1
± 0.6
RUN1786
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-3_2
pdb
−1.0
± 0.3
RUN1566
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-14142a25-10_1
pdb
−1.0
± 0.2
RUN1944
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-4_1
pdb
−1.0
± 0.5
RUN1597
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-2_1
pdb
−1.0
± 0.2
RUN1781
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-1_1
pdb
−1.0
± 0.3
RUN1571
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-1_1
pdb
−1.0
± 0.1
RUN1594
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b1ef7fe3-1_1
pdb
−1.0
± 0.2
RUN1886
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-5_1
pdb
−1.0
± 0.3
RUN1601
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b1ef7fe3-4_1
pdb
−1.0
± 0.1
RUN1552
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-8_1
pdb
−1.0
± 0.2
RUN1671
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-1_1
pdb
−1.0
± 0.2
RUN1894
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-1_1
pdb
−1.0
± 0.4
RUN1800
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-1_2
pdb
−1.0
± 0.3
RUN1489
map
VLA-UCB-50c39ae8-2_1
pdb
DAR-DIA-0f7b7cd9-8_1
pdb
−0.9
± 0.1
RUN1779
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-22_1
pdb
−0.9
± 0.4
RUN1519
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-9_1
pdb
−0.9
± 0.2
RUN1631
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-5_1
pdb
−0.9
± 0.1
RUN1823
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-2_1
pdb
−0.9
± 0.3
RUN1581
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-9931618f-1_1
pdb
−0.8
± 0.2
RUN1587
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-96396902-1_1
pdb
−0.8
± 0.2
RUN1834
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7e491f08-1_1
pdb
−0.8
± 0.7
RUN1860
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-2_2
pdb
−0.8
± 0.6
RUN1603
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b1ef7fe3-2_1
pdb
−0.8
± 0.2
RUN1606
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-8_1
pdb
−0.8
± 0.1
RUN1792
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-6_1
pdb
−0.8
± 0.2
RUN1663
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-17_4
pdb
−0.7
± 0.5
RUN1488
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-34f3ed0c-11_1
pdb
−0.73
± 0.07
RUN1470
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-983b399a-1_1
pdb
−0.71
± 0.09
RUN1747
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-6_1
pdb
−0.7
± 0.2
RUN1515
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-3_1
pdb
−0.7
± 0.3
RUN1490
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-29506327-1_1
pdb
−0.65
± 0.08
RUN1871
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-2_1
pdb
−0.6
± 0.4
RUN1471
map
VLA-UCB-50c39ae8-2_1
pdb
BEN-BAS-c2bc0d80-3_1
pdb
−0.64
± 0.09
RUN1483
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-cf7facf1-1_1
pdb
−0.62
± 0.07
RUN1906
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-1_1
pdb
−0.6
± 0.6
RUN1720
map
VLA-UCB-50c39ae8-2_1
pdb
MIK-ENA-5d9157e9-1_2
pdb
−0.6
± 0.6
RUN1619
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-20_1
pdb
−0.6
± 0.6
RUN1629
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1d5ab790-3_1
pdb
−0.6
± 0.2
RUN1740
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-7_1
pdb
−0.6
± 0.2
RUN1503
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-3a43cd95-1_1
pdb
−0.57
± 0.09
RUN1467
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-477dc5b7-4_1
pdb
−0.6
± 0.1
RUN1608
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b1ef7fe3-3_1
pdb
−0.6
± 0.2
Last updated 2022-01-08T06:54:59.612175+00:00
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