COVID Moonshot Sprint 12
Summary
Compounds
Microstates
Transformations
Reliable Transformations
(current)
Retrospective Transformations
Retrospective Compounds
Reliable Transformations
Showing 401 through 500 of 100
RUN
Atom map
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Bootstrapping
Convergence
RUN402
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-40e596c8-3_1
pdb
−1.9
± 0.6
RUN675
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-11_1
pdb
−1.9
± 0.4
RUN273
map
MAT-POS-c7726e07-5_1
pdb
LUO-POS-e1dab717-18_2
pdb
−1.9
± 0.3
RUN800
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-7_1
pdb
−1.9
± 0.6
RUN580
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-7d88f880-1_1
pdb
−1.9
± 0.4
RUN562
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-9f4ac58c-6_1
pdb
−1.9
± 0.6
RUN177
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-94fddcec-7_1
pdb
−1.9
± 0.5
RUN186
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-ecbed2ba-18_1
pdb
−1.9
± 0.9
RUN1004
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-1a788f51-3_1
pdb
−1.9
± 0.8
RUN790
map
MAT-POS-c7726e07-5_1
pdb
MIK-ENA-60569a44-1_1
pdb
−1.9
± 0.8
RUN862
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-b6c6ee2b-5_1
pdb
−1.9
± 0.6
RUN329
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-d4864bdc-4_1
pdb
−1.9
± 0.6
RUN691
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-17_1
pdb
−1.9
± 0.6
RUN672
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-11_1
pdb
−1.9
± 0.4
RUN683
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-15_1
pdb
−1.9
± 0.4
RUN187
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-ecbed2ba-14_1
pdb
−1.9
± 0.4
RUN178
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-853c0ffa-1_1
pdb
−1.9
± 0.3
RUN698
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-18_1
pdb
−1.9
± 0.4
RUN350
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-566864e2-1_1
pdb
−1.8
± 0.3
RUN323
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-50a80394-6_1
pdb
−1.8
± 0.3
RUN74
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-3bd6fc51-1_2
pdb
−1.8
± 0.3
RUN716
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-33064c06-16_2
pdb
−1.8
± 0.6
RUN170
map
MAT-POS-c7726e07-5_1
pdb
EDG-MED-b1ef7fe3-2_1
pdb
−1.8
± 0.4
RUN504
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-6b23330e-6_1
pdb
−1.8
± 0.5
RUN634
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-6b23330e-3_2
pdb
−1.8
± 0.4
RUN668
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-10_1
pdb
−1.8
± 0.4
RUN268
map
MAT-POS-c7726e07-5_1
pdb
LUO-POS-e1dab717-1_2
pdb
−1.8
± 0.3
RUN630
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-c3a90b22-10_1
pdb
−1.8
± 0.3
RUN500
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-6b23330e-5_2
pdb
−1.8
± 0.2
RUN1052
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-40ad851a-5_1
pdb
−1.8
± 0.9
RUN793
map
MAT-POS-c7726e07-5_1
pdb
MIK-ENA-bb7b6957-1_1
pdb
−1.8
± 0.9
RUN870
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-4138fde9-3_2
pdb
−1.7
± 0.5
RUN587
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-a12e3a20-1_1
pdb
−1.7
± 0.8
RUN636
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-c3a90b22-10_1
pdb
−1.7
± 0.4
RUN707
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-33064c06-9_1
pdb
−1.7
± 0.2
RUN1071
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-dfa1d800-3_1
pdb
−1.7
± 0.7
RUN654
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-6_2
pdb
−1.7
± 0.7
RUN502
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-6b23330e-6_1
pdb
−1.7
± 0.5
RUN195
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-69786b79-1_2
pdb
−1.6
± 0.3
RUN847
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-38eb6498-4_1
pdb
−1.6
± 0.5
RUN259
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-566864e2-3_2
pdb
−1.6
± 0.3
RUN875
map
MAT-POS-c7726e07-5_1
pdb
MIK-ENA-be04d1d4-1_1
pdb
−1.6
± 0.7
RUN1081
map
MAT-POS-c7726e07-5_1
pdb
MIC-UNK-c85ea37c-2_1
pdb
−1.6
± 1.0
RUN670
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-10_2
pdb
−1.6
± 0.5
RUN398
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-c3a90b22-4_2
pdb
−1.6
± 0.4
RUN682
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-15_2
pdb
−1.6
± 0.4
RUN470
map
MAT-POS-c7726e07-5_1
pdb
LUO-POS-e1dab717-4_1
pdb
−1.6
± 0.3
RUN438
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-38eb6498-5_1
pdb
−1.58
± 0.08
RUN602
map
MAT-POS-c7726e07-5_1
pdb
LUO-POS-ed2cfb03-1_1
pdb
−1.6
± 1.0
RUN262
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-566864e2-4_2
pdb
−1.6
± 0.3
RUN801
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-20_1
pdb
−1.6
± 0.5
RUN230
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-b6c6ee2b-6_1
pdb
−1.6
± 0.3
RUN442
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-38eb6498-5_1
pdb
−1.56
± 0.07
RUN455
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-be048f2c-5_1
pdb
−1.6
± 0.3
RUN510
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-c3a90b22-1_1
pdb
−1.6
± 0.7
RUN788
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-c3a90b22-8_1
pdb
−1.5
± 0.4
RUN136
map
MAT-POS-c7726e07-5_1
pdb
JOH-MSK-1f2dff76-2_2
pdb
−1.5
± 0.3
RUN585
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-98c0a822-2_1
pdb
−1.5
± 0.6
RUN252
map
MAT-POS-c7726e07-5_1
pdb
PET-UNK-77d5678a-4_1
pdb
−1.5
± 0.2
RUN247
map
MAT-POS-c7726e07-5_1
pdb
PET-UNK-77d5678a-3_1
pdb
−1.5
± 0.3
RUN249
map
MAT-POS-c7726e07-5_1
pdb
PET-UNK-77d5678a-4_1
pdb
−1.5
± 0.2
RUN409
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-8bb691af-6_1
pdb
−1.5
± 0.8
RUN841
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-853c0ffa-20_1
pdb
−1.5
± 0.9
RUN207
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-afe0272e-2_1
pdb
−1.5
± 0.4
RUN855
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-5cd3920d-3_1
pdb
−1.5
± 0.4
RUN327
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-50a80394-6_4
pdb
−1.5
± 0.3
RUN453
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-be048f2c-5_1
pdb
−1.5
± 0.2
RUN574
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-ecbed2ba-8_1
pdb
−1.5
± 1.0
RUN561
map
MAT-POS-c7726e07-5_1
pdb
LUO-POS-868e8996-9_1
pdb
−1.5
± 0.8
RUN549
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-33064c06-13_1
pdb
−1.5
± 0.3
RUN105
map
MAT-POS-c7726e07-5_1
pdb
PET-UNK-7e9559de-4_1
pdb
−1.5
± 0.4
RUN222
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-50a80394-7_2
pdb
−1.5
± 0.3
RUN21
map
MAT-POS-c7726e07-5_1
pdb
ALP-POS-4483ae88-1_1
pdb
−1.5
± 0.7
RUN232
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-ede5c6cb-1_1
pdb
−1.5
± 0.6
RUN695
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-18_2
pdb
−1.5
± 0.5
RUN204
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-576f7758-1_2
pdb
−1.5
± 0.3
RUN240
map
MAT-POS-c7726e07-5_1
pdb
PET-UNK-94036022-14_2
pdb
−1.4
± 0.3
RUN758
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-61877630-10_1
pdb
−1.4
± 0.8
RUN708
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-33064c06-9_1
pdb
−1.4
± 0.2
RUN523
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-1_2
pdb
−1.4
± 0.5
RUN210
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-a12e3a20-2_1
pdb
−1.4
± 0.4
RUN851
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-50a80394-3_2
pdb
−1.4
± 0.9
RUN856
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-5cd3920d-3_1
pdb
−1.4
± 0.5
RUN103
map
MAT-POS-c7726e07-5_1
pdb
PET-UNK-7e9559de-4_1
pdb
−1.4
± 0.3
RUN444
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-38eb6498-5_1
pdb
−1.40
± 0.10
RUN536
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-4_1
pdb
−1.4
± 0.6
RUN625
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-8e615992-4_2
pdb
−1.4
± 0.4
RUN468
map
MAT-POS-c7726e07-5_1
pdb
VLA-UNK-61877630-6_2
pdb
−1.4
± 0.4
RUN231
map
MAT-POS-c7726e07-5_1
pdb
PET-UNK-94036022-7_1
pdb
−1.3
± 0.4
RUN112
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-50a80394-4_4
pdb
−1.3
± 0.4
RUN319
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-cc48ee33-3_1
pdb
−1.3
± 0.3
RUN604
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-7e491f08-2_1
pdb
−1.3
± 0.4
RUN96
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-1d5ab790-2_1
pdb
−1.3
± 0.2
RUN718
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-9f4ac58c-5_1
pdb
−1.3
± 0.8
RUN99
map
MAT-POS-c7726e07-5_1
pdb
PET-UNK-7e9559de-1_1
pdb
−1.3
± 0.3
RUN246
map
MAT-POS-c7726e07-5_1
pdb
PET-UNK-77d5678a-1_1
pdb
−1.3
± 0.3
RUN799
map
MAT-POS-c7726e07-5_1
pdb
MAT-POS-e75f6e44-7_2
pdb
−1.3
± 0.6
RUN314
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-976a33d5-1_1
pdb
−1.3
± 0.3
RUN173
map
MAT-POS-c7726e07-5_1
pdb
EDJ-MED-94fddcec-7_1
pdb
−1.3
± 0.5
RUN63
map
MAT-POS-c7726e07-5_1
pdb
LUO-POS-868e8996-12_2
pdb
−1.3
± 0.3
Last updated 2022-02-18T20:16:45.438838+00:00
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