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
RUN999
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-2_1
pdb
−4.8
± 0.7
RUN995
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-1_1
pdb
−4.2
± 0.6
RUN968
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-61877630-9_1
pdb
−3.5
± 0.4
RUN997
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-3_1
pdb
−3.5
± 0.5
RUN985
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-7_1
pdb
−3.5
± 0.4
RUN918
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-7_1
pdb
−3.3
± 0.1
RUN885
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-6_1
pdb
−3.2
± 0.4
RUN934
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-5_1
pdb
−3.1
± 0.3
RUN990
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-1_1
pdb
−2.9
± 0.6
RUN983
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7d88f880-3_2
pdb
−2.9
± 0.6
RUN836
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-3_1
pdb
−2.9
± 0.1
RUN977
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-8_1
pdb
−2.8
± 0.5
RUN802
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-a12e3a20-2_1
pdb
−2.8
± 0.1
RUN973
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-11_1
pdb
−2.7
± 0.4
RUN888
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-2_1
pdb
−2.6
± 0.4
RUN887
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-5_1
pdb
−2.5
± 0.2
RUN707
map
VLA-UCB-50c39ae8-2_1
pdb
DAR-DIA-0f7b7cd9-9_1
pdb
−2.50
± 0.07
RUN910
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-8_1
pdb
−2.5
± 0.2
RUN929
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-1_1
pdb
−2.4
± 0.3
RUN992
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-10_1
pdb
−2.4
± 0.5
RUN935
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-6_1
pdb
−2.2
± 0.3
RUN806
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-6af7266d-3_1
pdb
−2.2
± 0.1
RUN913
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-a12e3a20-1_1
pdb
−2.2
± 0.4
RUN994
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-4_1
pdb
−2.2
± 0.7
RUN820
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-7_1
pdb
−2.1
± 0.2
RUN984
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-5_1
pdb
−2.1
± 0.3
RUN853
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-6_2
pdb
−2.1
± 0.2
RUN805
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-6af7266d-1_1
pdb
−2.06
± 0.10
RUN884
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-5_1
pdb
−2.0
± 0.2
RUN987
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-19_1
pdb
−2.0
± 0.4
RUN947
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7e491f08-1_1
pdb
−2.0
± 0.5
RUN1000
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_2
pdb
−2.0
± 0.7
RUN978
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-4_1
pdb
−2.0
± 0.3
RUN986
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-9_1
pdb
−1.9
± 0.7
RUN979
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7d88f880-3_1
pdb
−1.9
± 0.6
RUN905
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-5_1
pdb
−1.9
± 1.0
RUN927
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-61877630-3_1
pdb
−1.9
± 0.2
RUN790
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-7_1
pdb
−1.89
± 0.10
RUN828
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-5_2
pdb
−1.9
± 0.2
RUN966
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-2_1
pdb
−1.9
± 0.4
RUN682
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-159244ea-1_1
pdb
−1.80
± 0.05
RUN1012
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-2_1
pdb
−1.8
± 0.3
RUN691
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-983b399a-1_1
pdb
−1.74
± 0.05
RUN930
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-4_1
pdb
−1.7
± 0.2
RUN1014
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-5_1
pdb
−1.7
± 0.5
RUN695
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-477dc5b7-4_1
pdb
−1.67
± 0.05
RUN1009
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-5_1
pdb
−1.7
± 0.5
RUN781
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-1_1
pdb
−1.65
± 0.09
RUN976
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-12_1
pdb
−1.6
± 0.4
RUN716
map
VLA-UCB-50c39ae8-2_1
pdb
DAR-DIA-0f7b7cd9-8_1
pdb
−1.60
± 0.08
RUN697
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-29506327-1_1
pdb
−1.60
± 0.05
RUN734
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-14142a25-10_1
pdb
−1.6
± 0.1
RUN748
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-9931618f-1_1
pdb
−1.6
± 0.1
RUN768
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b1ef7fe3-2_1
pdb
−1.6
± 0.1
RUN991
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-2_1
pdb
−1.6
± 0.6
RUN712
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-9_1
pdb
−1.57
± 0.09
RUN907
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7e491f08-2_1
pdb
−1.5
± 0.1
RUN730
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-8_1
pdb
−1.5
± 0.1
RUN1015
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-1_1
pdb
−1.5
± 0.4
RUN840
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-6af7266d-2_1
pdb
−1.5
± 0.1
RUN993
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-5_1
pdb
−1.5
± 0.2
RUN1002
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-3_1
pdb
−1.5
± 0.6
RUN753
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-3_1
pdb
−1.47
± 0.09
RUN1006
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-1_1
pdb
−1.5
± 0.6
RUN699
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-cf7facf1-1_1
pdb
−1.46
± 0.05
RUN732
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-14142a25-1_1
pdb
−1.5
± 0.1
RUN967
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-3_1
pdb
−1.5
± 0.1
RUN1013
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-5_1
pdb
−1.5
± 0.5
RUN795
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8c3e556a-1_1
pdb
−1.5
± 0.1
RUN788
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-20_1
pdb
−1.4
± 0.7
RUN786
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-18_1
pdb
−1.4
± 0.2
RUN988
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-1_1
pdb
−1.4
± 0.3
RUN689
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-34f3ed0c-11_1
pdb
−1.39
± 0.05
RUN773
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b1ef7fe3-3_1
pdb
−1.4
± 0.1
RUN1005
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-4_1
pdb
−1.4
± 0.3
RUN862
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-10_1
pdb
−1.4
± 0.4
RUN866
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-98c0a822-3_1
pdb
−1.4
± 0.2
RUN881
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-4_1
pdb
−1.4
± 0.2
RUN692
map
VLA-UCB-50c39ae8-2_1
pdb
DAR-DIA-6be260fc-5_1
pdb
−1.34
± 0.09
RUN752
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-9931618f-2_1
pdb
−1.3
± 0.1
RUN890
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-2_1
pdb
−1.3
± 0.3
RUN785
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-6_1
pdb
−1.3
± 0.1
RUN845
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-6af7266d-4_1
pdb
−1.2
± 0.1
RUN917
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-61877630-7_1
pdb
−1.2
± 0.4
RUN847
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-6_1
pdb
−1.2
± 0.4
RUN784
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-4_2
pdb
−1.1
± 0.2
RUN950
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_2
pdb
−1.1
± 0.6
RUN744
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-1_1
pdb
−1.1
± 0.1
RUN904
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7d88f880-1_2
pdb
−1.1
± 0.2
RUN953
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-3_1
pdb
−1.1
± 0.3
RUN793
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8c3e556a-2_1
pdb
−1.1
± 0.1
RUN842
map
VLA-UCB-50c39ae8-2_1
pdb
12_-111-3e02a1cd-1_1
pdb
−1.1
± 0.1
RUN839
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-d4864bdc-4_1
pdb
−1.0
± 0.3
RUN833
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-e48723dc-1_1
pdb
−1.0
± 0.1
RUN816
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-1_1
pdb
−1.0
± 0.1
RUN871
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-7_1
pdb
−1.0
± 0.1
RUN824
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-2_1
pdb
−1.0
± 0.1
RUN1008
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-4_1
pdb
−1.0
± 0.5
RUN876
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-6_1
pdb
−0.9
± 0.3
RUN855
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-13_1
pdb
−0.9
± 0.3
Last updated 2022-01-15T00:44:38.149510+00:00
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