Transformations

Showing 1 through 100 of 100
RUN Atom map Initial microstate Final microstate ΔΔG / kcal M-1 Work distribution Bootstrapping Convergence
RUN1405 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-9f4ac58c-3_1 molecule −4.4 ± 0.6 work distributions bootstrapping convergence
RUN1390 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-9f4ac58c-4_1 molecule −3.6 ± 0.6 work distributions bootstrapping convergence
RUN1272 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-9f4ac58c-6_1 molecule −3.3 ± 0.3 work distributions bootstrapping convergence
RUN1337 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-2_1 molecule −3.1 ± 0.5 work distributions bootstrapping convergence
RUN1252 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-be048f2c-5_1 molecule −2.9 ± 0.1 work distributions bootstrapping convergence
RUN1314 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-be048f2c-8_1 molecule −2.8 ± 0.2 work distributions bootstrapping convergence
RUN1277 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-853c0ffa-13_2 molecule −2.8 ± 0.4 work distributions bootstrapping convergence
RUN1440 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-40ad851a-3_2 molecule −2.7 ± 0.8 work distributions bootstrapping convergence
RUN1297 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-fed7ac0b-3_1 molecule −2.7 ± 0.4 work distributions bootstrapping convergence
RUN1420 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-8484f2d3-2_2 molecule −2.5 ± 0.7 work distributions bootstrapping convergence
RUN1268 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-9f4ac58c-2_1 molecule −2.3 ± 0.5 work distributions bootstrapping convergence
RUN1330 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-9f4ac58c-5_1 molecule −2.3 ± 0.4 work distributions bootstrapping convergence
RUN1403 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-9f4ac58c-7_1 molecule −2.3 ± 0.4 work distributions bootstrapping convergence
RUN1318 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-7e491f08-2_1 molecule −2.2 ± 0.2 work distributions bootstrapping convergence
RUN1372 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-3_4 molecule −2.2 ± 0.7 work distributions bootstrapping convergence
RUN1300 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-be048f2c-7_1 molecule −2.1 ± 0.2 work distributions bootstrapping convergence
RUN1327 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-9f4ac58c-1_1 molecule −2.1 ± 0.5 work distributions bootstrapping convergence
RUN1413 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-dfa1d800-1_1 molecule −2.0 ± 0.4 work distributions bootstrapping convergence
RUN1396 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-9f4ac58c-8_1 molecule −2.0 ± 0.4 work distributions bootstrapping convergence
RUN1293 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-38eb6498-6_1 molecule −2.0 ± 0.1 work distributions bootstrapping convergence
RUN1348 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-2_4 molecule −2.0 ± 0.6 work distributions bootstrapping convergence
RUN1459 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-dfa1d800-3_1 molecule −1.9 ± 0.3 work distributions bootstrapping convergence
RUN1133 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-aa57768f-7_1 molecule −1.9 ± 0.1 work distributions bootstrapping convergence
RUN1140 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-a12e3a20-2_1 molecule −1.9 ± 0.1 work distributions bootstrapping convergence
RUN1399 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-b6c6ee2b-5_1 molecule −1.9 ± 0.3 work distributions bootstrapping convergence
RUN1164 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-f702bf1c-1_1 molecule −1.8 ± 0.1 work distributions bootstrapping convergence
RUN1182 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-cc48ee33-7_1 molecule −1.8 ± 0.2 work distributions bootstrapping convergence
RUN1243 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-cc48ee33-2_1 molecule −1.8 ± 0.1 work distributions bootstrapping convergence
RUN1250 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-cc48ee33-5_1 molecule −1.8 ± 0.1 work distributions bootstrapping convergence
RUN1185 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-cc48ee33-3_1 molecule −1.7 ± 0.1 work distributions bootstrapping convergence
RUN1371 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-3_3 molecule −1.7 ± 0.5 work distributions bootstrapping convergence
RUN1435 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-dfa1d800-2_1 molecule −1.7 ± 0.4 work distributions bootstrapping convergence
RUN1187 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-fed7ac0b-2_1 molecule −1.6 ± 0.1 work distributions bootstrapping convergence
RUN1389 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-38eb6498-4_1 molecule −1.6 ± 0.3 work distributions bootstrapping convergence
RUN1032 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-aa57768f-9_1 molecule −1.60 ± 0.10 work distributions bootstrapping convergence
RUN1406 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-ee81482e-4_2 molecule −1.5 ± 0.8 work distributions bootstrapping convergence
RUN1343 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-2_2 molecule −1.5 ± 0.6 work distributions bootstrapping convergence
RUN1154 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-8c3e556a-2_1 molecule −1.5 ± 0.1 work distributions bootstrapping convergence
RUN1368 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-976a33d5-2_1 molecule −1.4 ± 0.2 work distributions bootstrapping convergence
RUN1457 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-dfa1d800-4_1 molecule −1.4 ± 0.3 work distributions bootstrapping convergence
RUN1016 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-3a43cd95-1_1 molecule −1.38 ± 0.07 work distributions bootstrapping convergence
RUN1419 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-8484f2d3-1_1 molecule −1.4 ± 0.8 work distributions bootstrapping convergence
RUN1306 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-a12e3a20-1_2 molecule −1.3 ± 0.5 work distributions bootstrapping convergence
RUN1244 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-cc48ee33-4_1 molecule −1.3 ± 0.1 work distributions bootstrapping convergence
RUN1266 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-b4d6b7fc-7_1 molecule −1.3 ± 0.3 work distributions bootstrapping convergence
RUN1438 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-40ad851a-1_1 molecule −1.3 ± 0.7 work distributions bootstrapping convergence
RUN1395 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-5cd3920d-3_1 molecule −1.2 ± 0.2 work distributions bootstrapping convergence
RUN1412 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-853c0ffa-10_2 molecule −1.2 ± 0.5 work distributions bootstrapping convergence
RUN1028 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-aa57768f-3_1 molecule −1.2 ± 0.1 work distributions bootstrapping convergence
RUN1352 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-5cd3920d-4_1 molecule −1.2 ± 0.2 work distributions bootstrapping convergence
RUN1428 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-40ad851a-4_1 molecule −1.2 ± 0.7 work distributions bootstrapping convergence
RUN1350 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-7e491f08-1_2 molecule −1.1 ± 0.7 work distributions bootstrapping convergence
RUN1415 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-8484f2d3-1_2 molecule −1.1 ± 0.7 work distributions bootstrapping convergence
RUN1079 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-14142a25-10_1 molecule −1.1 ± 0.1 work distributions bootstrapping convergence
RUN1118 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-aa57768f-1_1 molecule −1.1 ± 0.1 work distributions bootstrapping convergence
RUN1284 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-c2d406ed-1_2 molecule −1.1 ± 0.3 work distributions bootstrapping convergence
RUN1443 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-40ad851a-1_8 molecule −1.1 ± 0.8 work distributions bootstrapping convergence
RUN1096 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-4_2 molecule −1.1 ± 0.2 work distributions bootstrapping convergence
RUN1312 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-1_3 molecule −1.0 ± 0.5 work distributions bootstrapping convergence
RUN1253 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-b6c6ee2b-7_1 molecule −1.0 ± 0.1 work distributions bootstrapping convergence
RUN1148 VLA-UCB-50c39ae8-2_1 molecule VLA-UCB-34f3ed0c-14_1 molecule −1.0 ± 0.1 work distributions bootstrapping convergence
RUN1184 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-976a33d5-1_1 molecule −1.0 ± 0.1 work distributions bootstrapping convergence
RUN1151 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-8c3e556a-1_1 molecule −1.0 ± 0.1 work distributions bootstrapping convergence
RUN1076 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-14142a25-1_1 molecule −1.0 ± 0.1 work distributions bootstrapping convergence
RUN1094 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-9931618f-1_1 molecule −0.9 ± 0.1 work distributions bootstrapping convergence
RUN1402 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-5cd3920d-1_2 molecule −0.9 ± 0.5 work distributions bootstrapping convergence
RUN1110 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-f702bf1c-2_1 molecule −0.9 ± 0.1 work distributions bootstrapping convergence
RUN1401 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-853c0ffa-19_1 molecule −0.9 ± 0.6 work distributions bootstrapping convergence
RUN1155 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-f702bf1c-6_1 molecule −0.9 ± 0.1 work distributions bootstrapping convergence
RUN1179 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-576f7758-2_1 molecule −0.9 ± 0.1 work distributions bootstrapping convergence
RUN1246 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-98c0a822-3_1 molecule −0.9 ± 0.2 work distributions bootstrapping convergence
RUN1107 VLA-UCB-50c39ae8-2_1 molecule EDG-MED-b1ef7fe3-1_1 molecule −0.9 ± 0.1 work distributions bootstrapping convergence
RUN1260 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-fd8ed875-6_1 molecule −0.9 ± 0.1 work distributions bootstrapping convergence
RUN1398 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-b5068a05-1_2 molecule −0.9 ± 0.3 work distributions bootstrapping convergence
RUN1092 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-9931618f-2_1 molecule −0.9 ± 0.1 work distributions bootstrapping convergence
RUN996 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-cf7facf1-1_1 molecule −0.84 ± 0.05 work distributions bootstrapping convergence
RUN1116 VLA-UCB-50c39ae8-2_1 molecule EDG-MED-b1ef7fe3-2_1 molecule −0.8 ± 0.1 work distributions bootstrapping convergence
RUN1144 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-fd8ed875-5_1 molecule −0.8 ± 0.1 work distributions bootstrapping convergence
RUN1139 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-5_2 molecule −0.8 ± 0.2 work distributions bootstrapping convergence
RUN1416 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-ee81482e-2_1 molecule −0.8 ± 0.5 work distributions bootstrapping convergence
RUN1338 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-c2d406ed-2_2 molecule −0.8 ± 0.3 work distributions bootstrapping convergence
RUN1004 VLA-UCB-50c39ae8-2_1 molecule DAR-DIA-0f7b7cd9-9_1 molecule −0.81 ± 0.07 work distributions bootstrapping convergence
RUN1180 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-69786b79-3_1 molecule −0.8 ± 0.3 work distributions bootstrapping convergence
RUN1121 VLA-UCB-50c39ae8-2_1 molecule EDG-MED-b1ef7fe3-3_1 molecule −0.8 ± 0.1 work distributions bootstrapping convergence
RUN1002 VLA-UCB-50c39ae8-2_1 molecule DAR-DIA-0f7b7cd9-8_1 molecule −0.77 ± 0.07 work distributions bootstrapping convergence
RUN1114 VLA-UCB-50c39ae8-2_1 molecule EDG-MED-b1ef7fe3-4_1 molecule −0.7 ± 0.1 work distributions bootstrapping convergence
RUN1367 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-3_2 molecule −0.7 ± 0.5 work distributions bootstrapping convergence
RUN1240 VLA-UCB-50c39ae8-2_1 molecule MIK-ENA-5d9157e9-2_2 molecule −0.7 ± 0.5 work distributions bootstrapping convergence
RUN1003 VLA-UCB-50c39ae8-2_1 molecule VLA-UCB-29506327-1_1 molecule −0.71 ± 0.05 work distributions bootstrapping convergence
RUN982 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-159244ea-1_1 molecule −0.71 ± 0.06 work distributions bootstrapping convergence
RUN1001 VLA-UCB-50c39ae8-2_1 molecule VLA-UCB-34f3ed0c-11_1 molecule −0.70 ± 0.06 work distributions bootstrapping convergence
RUN1299 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-c2d406ed-3_2 molecule −0.7 ± 0.4 work distributions bootstrapping convergence
RUN1123 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-853c0ffa-1_1 molecule −0.7 ± 0.1 work distributions bootstrapping convergence
RUN1437 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-40ad851a-1_5 molecule −0.7 ± 0.8 work distributions bootstrapping convergence
RUN1195 VLA-UCB-50c39ae8-2_1 molecule ALP-POS-ecbed2ba-19_3 molecule −0.7 ± 0.8 work distributions bootstrapping convergence
RUN1404 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-ee81482e-1_2 molecule −0.6 ± 0.5 work distributions bootstrapping convergence
RUN1007 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-56836b69-2_1 molecule −0.62 ± 0.09 work distributions bootstrapping convergence
RUN984 VLA-UCB-50c39ae8-2_1 molecule BEN-BAS-c2bc0d80-3_1 molecule −0.61 ± 0.07 work distributions bootstrapping convergence
RUN1414 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-38eb6498-1_1 molecule −0.6 ± 0.6 work distributions bootstrapping convergence
RUN1353 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-38eb6498-3_1 molecule −0.6 ± 0.4 work distributions bootstrapping convergence
Last updated 2022-01-08T18:54:46.307113+00:00
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