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
RUN288
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-61877630-9_1
pdb
−3.6
± 0.2
RUN305
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-7_1
pdb
−3.4
± 0.4
RUN138
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-17_1
pdb
−3.3
± 0.4
RUN129
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-1_1
pdb
−2.9
± 0.2
RUN323
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_1
pdb
−2.5
± 0.6
RUN312
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-10_1
pdb
−2.4
± 0.4
RUN276
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-ccc6e4c0-1_1
pdb
−2.4
± 0.3
RUN137
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-6_1
pdb
−2.2
± 0.1
RUN120
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-34f3ed0c-14_1
pdb
−2.1
± 0.1
RUN297
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-8_1
pdb
−2.1
± 0.4
RUN328
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-4_1
pdb
−2.1
± 0.4
RUN324
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-cef8a2bc-1_1
pdb
−2.1
± 0.3
RUN205
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-6_1
pdb
−2.1
± 0.3
RUN322
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-3_1
pdb
−1.9
± 0.6
RUN279
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-3_2
pdb
−1.9
± 0.4
RUN327
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-d1147590-1_1
pdb
−1.8
± 0.5
RUN307
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-19_1
pdb
−1.8
± 0.4
RUN270
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_2
pdb
−1.8
± 0.3
RUN296
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-12_1
pdb
−1.8
± 0.3
RUN253
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-4_1
pdb
−1.7
± 0.2
RUN238
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-7_1
pdb
−1.7
± 0.1
RUN180
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-16_1
pdb
−1.7
± 0.7
RUN108
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-20_1
pdb
−1.7
± 0.4
RUN283
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-4_1
pdb
−1.7
± 0.4
RUN318
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-2_1
pdb
−1.7
± 0.6
RUN314
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-4_1
pdb
−1.5
± 0.4
RUN208
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-2_1
pdb
−1.5
± 0.4
RUN306
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-9_1
pdb
−1.5
± 0.4
RUN332
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-2_1
pdb
−1.4
± 0.3
RUN317
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-3_1
pdb
−1.4
± 0.4
RUN331
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-3_1
pdb
−1.4
± 0.5
RUN308
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-1_1
pdb
−1.4
± 0.3
RUN254
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-5_1
pdb
−1.4
± 0.3
RUN273
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-3_1
pdb
−1.2
± 0.3
RUN333
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-5_1
pdb
−1.2
± 0.5
RUN310
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-1_1
pdb
−1.2
± 0.5
RUN313
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-5_1
pdb
−1.2
± 0.2
RUN299
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7d88f880-3_1
pdb
−1.1
± 0.5
RUN335
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-1_1
pdb
−1.1
± 0.3
RUN164
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-5_1
pdb
−1.0
± 0.2
RUN29
map
VLA-UCB-50c39ae8-2_1
pdb
BEN-BAS-c2bc0d80-7_1
pdb
−1.02
± 0.04
RUN82
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-2_1
pdb
−1.0
± 0.1
RUN173
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-6_2
pdb
−1.0
± 0.2
RUN304
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-5_1
pdb
−0.9
± 0.2
RUN207
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-5_1
pdb
−0.9
± 0.1
RUN336
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-949975c8-1_1
pdb
−0.9
± 0.3
RUN242
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-2_1
pdb
−0.9
± 0.2
RUN230
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-8_1
pdb
−0.9
± 0.2
RUN249
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-1_1
pdb
−0.9
± 0.4
RUN56
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7587a9ee-1_1
pdb
−0.9
± 0.1
RUN212
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-1_1
pdb
−0.9
± 0.2
RUN156
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-3_1
pdb
−0.84
± 0.09
RUN325
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-4_1
pdb
−0.8
± 0.3
RUN321
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-3_1
pdb
−0.8
± 0.2
RUN125
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-6af7266d-1_1
pdb
−0.77
± 0.08
RUN315
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-1_1
pdb
−0.8
± 0.5
RUN298
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-4_1
pdb
−0.8
± 0.2
RUN162
map
VLA-UCB-50c39ae8-2_1
pdb
12_-111-3e02a1cd-1_1
pdb
−0.75
± 0.07
RUN150
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-8_1
pdb
−0.7
± 0.2
RUN241
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-b735e33c-1_1
pdb
−0.7
± 0.2
RUN153
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-e48723dc-1_1
pdb
−0.7
± 0.1
RUN110
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-7_1
pdb
−0.69
± 0.08
RUN168
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-5_2
pdb
−0.7
± 0.2
RUN291
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-2_1
pdb
−0.7
± 0.3
RUN134
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-19_1
pdb
−0.7
± 0.2
RUN319
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-2_1
pdb
−0.7
± 0.7
RUN126
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-6af7266d-3_1
pdb
−0.67
± 0.10
RUN220
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-3_1
pdb
−0.7
± 0.4
RUN330
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-949975c8-1_2
pdb
−0.7
± 0.4
RUN227
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7e491f08-2_1
pdb
−0.7
± 0.1
RUN186
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-98c0a822-3_1
pdb
−0.6
± 0.2
RUN157
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-77d5678a-2_1
pdb
−0.63
± 0.08
RUN165
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-6af7266d-4_1
pdb
−0.60
± 0.07
RUN303
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7d88f880-3_2
pdb
−0.6
± 0.5
RUN198
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-61877630-6_1
pdb
−0.6
± 0.1
RUN286
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-2_1
pdb
−0.6
± 0.3
RUN219
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-11_1
pdb
−0.6
± 0.3
RUN226
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-1_2
pdb
−0.6
± 0.4
RUN213
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-6_1
pdb
−0.6
± 0.1
RUN160
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-6af7266d-2_1
pdb
−0.52
± 0.08
RUN222
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-3_1
pdb
−0.5
± 0.2
RUN9
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-34f3ed0c-11_1
pdb
−0.49
± 0.04
RUN17
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-29506327-1_1
pdb
−0.49
± 0.04
RUN290
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-20_1
pdb
−0.5
± 0.3
RUN60
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-2e8b2191-8_1
pdb
−0.5
± 0.1
RUN124
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-77d5678a-3_1
pdb
−0.46
± 0.06
RUN287
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-3_1
pdb
−0.4
± 0.1
RUN211
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-9_1
pdb
−0.4
± 0.2
RUN143
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-4_2
pdb
−0.4
± 0.2
RUN190
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-21_1
pdb
−0.4
± 0.2
RUN204
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-5_1
pdb
−0.4
± 0.1
RUN113
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8c3e556a-2_1
pdb
−0.40
± 0.09
RUN131
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-4_1
pdb
−0.4
± 0.2
RUN236
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-4_1
pdb
−0.4
± 0.2
RUN19
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-cf7facf1-1_1
pdb
−0.36
± 0.04
RUN95
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-8_1
pdb
−0.35
± 0.08
RUN255
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-6_1
pdb
−0.4
± 0.2
RUN114
map
VLA-UCB-50c39ae8-2_1
pdb
12_-111-3e02a1cd-2_1
pdb
−0.34
± 0.07
RUN140
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-7_1
pdb
−0.3
± 0.2
RUN84
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-2_1
pdb
−0.32
± 0.09
Last updated 2022-01-13T18:08:51.675859+00:00
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