COVID Moonshot Sprint 11
Summary
Compounds
Microstates
Transformations
Reliable Transformations
(current)
Retrospective Transformations
Retrospective Compounds
Reliable Transformations
Showing 201 through 300 of 100
RUN
Atom map
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Bootstrapping
Convergence
RUN286
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-6_1
pdb
2.3
± 0.2
RUN360
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-1_2
pdb
2.3
± 0.6
RUN387
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-22_1
pdb
2.3
± 0.3
RUN445
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-1_1
pdb
2.3
± 0.6
RUN274
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-9_1
pdb
2.3
± 0.3
RUN168
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1d5ab790-3_1
pdb
2.3
± 0.1
RUN462
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_3
pdb
2.3
± 0.5
RUN233
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-6_1
pdb
2.3
± 0.3
RUN441
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-1_2
pdb
2.3
± 0.6
RUN372
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-3_1
pdb
2.3
± 0.5
RUN238
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-21_1
pdb
2.3
± 0.3
RUN116
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-7e9559de-4_2
pdb
2.4
± 0.2
RUN210
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-1_1
pdb
2.4
± 0.2
RUN151
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-18_1
pdb
2.4
± 0.3
RUN239
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-9_2
pdb
2.4
± 0.6
RUN6
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-477dc5b7-4_1
pdb
2.4
± 0.1
RUN434
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-10_1
pdb
2.4
± 0.5
RUN260
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-21_3
pdb
2.4
± 0.7
RUN353
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-1_1
pdb
2.4
± 0.4
RUN465
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_4
pdb
2.4
± 0.5
RUN160
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-69786b79-1_2
pdb
2.4
± 0.2
RUN428
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-1_2
pdb
2.4
± 0.5
RUN460
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-5_2
pdb
2.4
± 0.5
RUN125
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-96396902-1_2
pdb
2.5
± 0.2
RUN454
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-4_1
pdb
2.5
± 0.4
RUN147
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b1ef7fe3-3_1
pdb
2.5
± 0.2
RUN399
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-2_2
pdb
2.5
± 0.3
RUN423
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-1_1
pdb
2.5
± 0.4
RUN140
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b1ef7fe3-4_1
pdb
2.5
± 0.2
RUN124
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-4_4
pdb
2.5
± 0.2
RUN235
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-6_2
pdb
2.5
± 0.5
RUN486
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-4_1
pdb
2.5
± 0.7
RUN19
map
VLA-UCB-50c39ae8-2_1
pdb
BRU-THA-55eab31a-1_1
pdb
2.6
± 0.1
RUN267
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-21_4
pdb
2.6
± 0.7
RUN373
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7e491f08-1_1
pdb
2.6
± 0.4
RUN214
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-6_4
pdb
2.6
± 0.4
RUN469
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_8
pdb
2.6
± 0.6
RUN306
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-18_2
pdb
2.6
± 0.3
RUN318
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-22_1
pdb
2.6
± 0.4
RUN391
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-20_1
pdb
2.6
± 0.3
RUN385
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-3_1
pdb
2.6
± 0.6
RUN209
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-19_1
pdb
2.6
± 0.3
RUN363
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_1
pdb
2.6
± 0.4
RUN304
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-13_1
pdb
2.7
± 0.3
RUN357
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-8_1
pdb
2.7
± 0.3
RUN474
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-3_1
pdb
2.7
± 0.5
RUN433
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-1_1
pdb
2.7
± 0.6
RUN251
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-10_1
pdb
2.7
± 0.4
RUN337
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-1_1
pdb
2.7
± 0.4
RUN236
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-6_2
pdb
2.7
± 0.4
RUN329
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-4_1
pdb
2.7
± 0.3
RUN471
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_6
pdb
2.8
± 0.8
RUN264
map
VLA-UCB-50c39ae8-2_1
pdb
MIK-ENA-5d9157e9-2_1
pdb
2.8
± 0.3
RUN198
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-17_2
pdb
2.8
± 0.3
RUN175
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-5_4
pdb
2.8
± 0.2
RUN414
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-2_2
pdb
2.8
± 0.4
RUN164
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-afe0272e-2_1
pdb
2.8
± 0.1
RUN91
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-8_1
pdb
2.8
± 0.2
RUN437
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-2_1
pdb
2.8
± 0.6
RUN89
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-ed2cfb03-2_2
pdb
2.8
± 0.4
RUN226
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-3_1
pdb
2.8
± 0.3
RUN201
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-17_1
pdb
2.9
± 0.3
RUN200
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-3_2
pdb
2.9
± 0.3
RUN384
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-13_1
pdb
2.9
± 0.4
RUN167
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-576f7758-1_2
pdb
2.9
± 0.2
RUN199
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-3_1
pdb
2.9
± 0.4
RUN149
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-1_1
pdb
2.9
± 0.2
RUN390
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-3_2
pdb
2.9
± 0.4
RUN283
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-2_2
pdb
2.9
± 0.4
RUN240
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-4_2
pdb
2.9
± 0.4
RUN242
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-21_2
pdb
2.9
± 0.5
RUN479
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-1_2
pdb
2.9
± 0.7
RUN301
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-7_1
pdb
3.0
± 0.3
RUN321
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1d5ab790-1_2
pdb
3.0
± 0.5
RUN478
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-d1147590-1_1
pdb
3.0
± 0.6
RUN481
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-2_2
pdb
3.0
± 0.7
RUN96
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-ed2cfb03-2_1
pdb
3.0
± 0.2
RUN359
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-15_2
pdb
3.0
± 0.5
RUN303
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-13_2
pdb
3.0
± 0.4
RUN410
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-2_1
pdb
3.0
± 0.4
RUN60
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-2_1
pdb
3.0
± 0.2
RUN314
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-5_2
pdb
3.0
± 0.7
RUN170
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-5_1
pdb
3.0
± 0.2
RUN327
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-a12e3a20-1_1
pdb
3.1
± 0.5
RUN248
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-9_1
pdb
3.1
± 0.5
RUN277
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-5_2
pdb
3.1
± 0.2
RUN207
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-17_3
pdb
3.1
± 0.7
RUN427
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-19_1
pdb
3.1
± 0.4
RUN440
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-1_1
pdb
3.1
± 0.8
RUN345
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-ed2cfb03-1_1
pdb
3.1
± 0.3
RUN103
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-b4d6b7fc-5_2
pdb
3.2
± 0.2
RUN30
map
VLA-UCB-50c39ae8-2_1
pdb
DAR-DIA-0f7b7cd9-9_1
pdb
3.2
± 0.1
RUN446
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-2_2
pdb
3.2
± 0.7
RUN448
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-2_1
pdb
3.2
± 0.6
RUN266
map
VLA-UCB-50c39ae8-2_1
pdb
MIK-ENA-5d9157e9-2_2
pdb
3.2
± 0.5
RUN289
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ede5c6cb-2_1
pdb
3.2
± 0.2
RUN180
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8c3e556a-2_1
pdb
3.2
± 0.2
RUN249
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-16_2
pdb
3.2
± 0.3
RUN150
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-94fddcec-7_1
pdb
3.2
± 0.2
RUN122
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-4_2
pdb
3.2
± 0.3
Last updated 2022-01-08T06:28:24.208501+00:00
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fah-xchem
version pre-sprint-5+122.gaf80f5c