COVID Moonshot Sprint 11
Summary
Compounds
Microstates
Transformations
(current)
Reliable Transformations
Retrospective Transformations
Retrospective Compounds
Transformations
Showing 1 through 100 of 100
RUN
Atom map
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Bootstrapping
Convergence
RUN310
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-1_2
pdb
−4.0
± 0.3
RUN424
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-1_2
pdb
−3.4
± 0.5
RUN364
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-2_2
pdb
−2.5
± 0.3
RUN320
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-1_1
pdb
−2.5
± 0.2
RUN227
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-5_1
pdb
−2.3
± 0.2
RUN181
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-6_1
pdb
−2.2
± 0.1
RUN368
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-4_2
pdb
−2.1
± 0.4
RUN412
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-2_2
pdb
−2.0
± 0.3
RUN174
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-34f3ed0c-14_1
pdb
−1.9
± 0.1
RUN189
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-4_1
pdb
−1.9
± 0.1
RUN33
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-56836b69-2_1
pdb
−1.85
± 0.07
RUN64
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-4_2
pdb
−1.7
± 0.1
RUN42
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-3a43cd95-1_1
pdb
−1.65
± 0.06
RUN362
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-2_1
pdb
−1.6
± 0.2
RUN190
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-1_1
pdb
−1.6
± 0.1
RUN43
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-56836b69-5_1
pdb
−1.55
± 0.09
RUN68
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-3_2
pdb
−1.4
± 0.2
RUN97
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-a639d434-1_2
pdb
−1.4
± 0.2
RUN87
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-2e8b2191-8_1
pdb
−1.4
± 0.1
RUN127
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-1_1
pdb
−1.3
± 0.3
RUN431
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-3_1
pdb
−1.3
± 0.6
RUN27
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-34f3ed0c-11_1
pdb
−1.31
± 0.04
RUN295
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-9_1
pdb
−1.3
± 0.3
RUN29
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-29506327-1_1
pdb
−1.30
± 0.05
RUN22
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-cf7facf1-1_1
pdb
−1.29
± 0.05
RUN65
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-a639d434-2_1
pdb
−1.3
± 0.2
RUN86
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7587a9ee-1_2
pdb
−1.22
± 0.09
RUN93
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-3_2
pdb
−1.2
± 0.2
RUN397
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-3_3
pdb
−1.2
± 0.4
RUN95
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-2e8b2191-8_2
pdb
−1.16
± 0.10
RUN340
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-8_1
pdb
−1.1
± 0.1
RUN323
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-3_1
pdb
−1.1
± 0.4
RUN31
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-1_1
pdb
−1.1
± 0.2
RUN136
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-2_1
pdb
−1.1
± 0.1
RUN92
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-9_1
pdb
−1.09
± 0.10
RUN137
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-3_1
pdb
−1.1
± 0.1
RUN37
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-56836b69-3_1
pdb
−1.06
± 0.08
RUN336
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-4_1
pdb
−1.0
± 0.2
RUN369
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_2
pdb
−1.0
± 0.4
RUN341
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-11_2
pdb
−0.9
± 0.3
RUN131
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-2_1
pdb
−0.9
± 0.2
RUN187
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-4_2
pdb
−0.9
± 0.1
RUN135
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-2_1
pdb
−0.87
± 0.09
RUN365
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-4_1
pdb
−0.8
± 0.3
RUN85
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7587a9ee-1_1
pdb
−0.83
± 0.10
RUN278
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-5_1
pdb
−0.8
± 0.1
RUN145
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-8_1
pdb
−0.8
± 0.1
RUN234
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-5_2
pdb
−0.8
± 0.4
RUN280
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-5_1
pdb
−0.6
± 0.2
RUN282
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-5_2
pdb
−0.6
± 0.3
RUN143
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-7_1
pdb
−0.6
± 0.1
RUN67
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-a639d434-2_2
pdb
−0.6
± 0.2
RUN324
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-3_1
pdb
−0.6
± 0.3
RUN405
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-2_1
pdb
−0.6
± 0.3
RUN351
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-11_1
pdb
−0.5
± 0.2
RUN192
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-8_1
pdb
−0.5
± 0.2
RUN291
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-1_1
pdb
−0.5
± 0.3
RUN349
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-4_2
pdb
−0.5
± 0.3
RUN287
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-1_2
pdb
−0.4
± 0.4
RUN326
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-7_1
pdb
−0.4
± 0.1
RUN290
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-12_2
pdb
−0.4
± 0.3
RUN288
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-12_1
pdb
−0.4
± 0.3
RUN393
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-3_2
pdb
−0.3
± 0.4
RUN228
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-5_2
pdb
−0.3
± 0.1
RUN459
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-5_1
pdb
−0.2
± 0.2
RUN63
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-4_1
pdb
−0.2
± 0.2
RUN296
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-10_1
pdb
−0.2
± 0.3
RUN374
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_4
pdb
−0.2
± 0.4
RUN34
map
VLA-UCB-50c39ae8-2_1
pdb
BEN-BAS-c2bc0d80-7_1
pdb
−0.22
± 0.06
RUN38
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-3a43cd95-3_1
pdb
−0.11
± 0.04
RUN36
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-8c78ee15-2_1
pdb
−0.1
± 0.2
RUN456
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-3_3
pdb
−0.1
± 0.9
RUN25
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-983b399a-3_1
pdb
−0.06
± 0.06
RUN231
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-5_1
pdb
−0.0
± 0.4
RUN298
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-6_1
pdb
−0.0
± 0.4
RUN17
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-05e51b3f-5_1
pdb
0.000
± 0.004
RUN20
map
VLA-UCB-50c39ae8-2_1
pdb
BEN-BAS-c2bc0d80-6_1
pdb
0.000
± 0.005
RUN21
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-94643566-1_1
pdb
0.000
± 0.002
RUN18
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-50c39ae8-2_1
pdb
0.001
± 0.003
RUN88
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-MRT-a639d434-1_1
pdb
0.0
± 0.2
RUN338
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-1_3
pdb
0.0
± 0.4
RUN132
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-1_2
pdb
0.0
± 0.1
RUN230
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-7_1
pdb
0.1
± 0.2
RUN257
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-16_3
pdb
0.1
± 0.7
RUN294
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-2_1
pdb
0.1
± 0.4
RUN205
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-576f7758-2_1
pdb
0.1
± 0.1
RUN7
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-159244ea-3_1
pdb
0.18
± 0.07
RUN272
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-98c0a822-3_1
pdb
0.2
± 0.2
RUN422
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-8_1
pdb
0.2
± 0.5
RUN475
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-5_1
pdb
0.3
± 0.4
RUN23
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-90505e2b-1_1
pdb
0.26
± 0.03
RUN297
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-10_2
pdb
0.3
± 0.4
RUN98
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-3_1
pdb
0.3
± 0.2
RUN439
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-1_1
pdb
0.4
± 0.3
RUN24
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-ec6d90b7-1_1
pdb
0.40
± 0.03
RUN276
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-5_1
pdb
0.4
± 0.1
RUN26
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-ec6d90b7-2_1
pdb
0.41
± 0.03
RUN94
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-3_2
pdb
0.5
± 0.2
RUN325
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-3_2
pdb
0.5
± 0.3
RUN293
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-9_2
pdb
0.5
± 0.4
Last updated 2022-01-08T06:28:24.208501+00:00
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