Transformations

Showing 101 through 200 of 100
RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distribution Convergence
RUN1423 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-a13804f0-4_2 molecule −0.8 ± 0.2 work distributions convergence plot
RUN1381 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-10_1 molecule −0.8 ± 0.3 work distributions convergence plot
RUN1408 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-4_3 molecule −0.8 ± 0.2 work distributions convergence plot
RUN958 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-17_1 molecule −0.8 ± 0.1 work distributions convergence plot
RUN1273 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-c749d764-22_8 molecule −0.8 ± 0.2 work distributions convergence plot
RUN1562 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-30_1 molecule −0.8 ± 0.2 work distributions convergence plot
RUN1406 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-5_1 molecule −0.7 ± 0.2 work distributions convergence plot
RUN1103 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-7_1 molecule −0.7 ± 0.1 work distributions convergence plot
RUN1063 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-f7918075-3_1 molecule −0.73 ± 0.04 work distributions convergence plot
RUN1374 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-7_2 molecule −0.7 ± 0.3 work distributions convergence plot
RUN1537 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-10_1 molecule −0.7 ± 0.2 work distributions convergence plot
RUN957 ADA-UCB-6c2cb422-1_1 molecule ADA-UCB-6c2cb422-11_1 molecule −0.7 ± 0.2 work distributions convergence plot
RUN1421 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-4_2 molecule −0.7 ± 0.2 work distributions convergence plot
RUN1327 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-6c2be958-1_1 molecule −0.6 ± 0.2 work distributions convergence plot
RUN1504 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-1_2 molecule −0.6 ± 0.2 work distributions convergence plot
RUN1509 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-e274cad4-1_1 molecule −0.6 ± 0.1 work distributions convergence plot
RUN1530 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-22_1 molecule −0.6 ± 0.2 work distributions convergence plot
RUN1286 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-1_1 molecule −0.6 ± 0.2 work distributions convergence plot
RUN1489 ADA-UCB-6c2cb422-1_1 molecule ROB-UNI-daaf9793-4_1 molecule −0.6 ± 0.1 work distributions convergence plot
RUN1069 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-f7918075-7_1 molecule −0.6 ± 0.1 work distributions convergence plot
RUN1119 ADA-UCB-6c2cb422-1_1 molecule RIT-UNK-fa3975ff-1_2 molecule −0.6 ± 0.3 work distributions convergence plot
RUN1584 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-8293a91a-7_2 molecule −0.5 ± 0.2 work distributions convergence plot
RUN1564 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-ac320b15-6_1 molecule −0.5 ± 0.3 work distributions convergence plot
RUN849 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-1_1 molecule −0.5 ± 0.1 work distributions convergence plot
RUN1595 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-29385cc1-4_1 molecule −0.53 ± 0.10 work distributions convergence plot
RUN1195 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_11 molecule −0.5 ± 0.2 work distributions convergence plot
RUN1005 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-8df914d1-1_1 molecule −0.5 ± 0.1 work distributions convergence plot
RUN1414 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-12_2 molecule −0.5 ± 0.2 work distributions convergence plot
RUN1309 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-12d8d43f-1_1 molecule −0.5 ± 0.1 work distributions convergence plot
RUN1188 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_3 molecule −0.5 ± 0.2 work distributions convergence plot
RUN939 ADA-UCB-6c2cb422-1_1 molecule SAM-UNK-2684b532-3_1 molecule −0.4 ± 0.2 work distributions convergence plot
RUN1525 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-5_1 molecule −0.4 ± 0.2 work distributions convergence plot
RUN868 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-9f475305-3_1 molecule −0.4 ± 0.1 work distributions convergence plot
RUN1438 ADA-UCB-6c2cb422-1_1 molecule JIN-POS-6dc588a4-11_1 molecule −0.4 ± 0.1 work distributions convergence plot
RUN1539 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-27_1 molecule −0.4 ± 0.2 work distributions convergence plot
RUN1244 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-12_5 molecule −0.4 ± 0.2 work distributions convergence plot
RUN1528 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-2_1 molecule −0.4 ± 0.2 work distributions convergence plot
RUN970 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-3fc1724e-8_2 molecule −0.4 ± 0.3 work distributions convergence plot
RUN1098 ADA-UCB-6c2cb422-1_1 molecule VLA-UCB-05e51b3f-15_1 molecule −0.4 ± 0.2 work distributions convergence plot
RUN1137 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-50cce87d-2_1 molecule −0.3 ± 0.1 work distributions convergence plot
RUN932 ADA-UCB-6c2cb422-1_1 molecule SAM-UNK-2684b532-1_2 molecule −0.3 ± 0.1 work distributions convergence plot
RUN1544 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-26_1 molecule −0.3 ± 0.2 work distributions convergence plot
RUN1191 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-4_5 molecule −0.3 ± 0.3 work distributions convergence plot
RUN988 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-00c1612e-1_1 molecule −0.3 ± 0.1 work distributions convergence plot
RUN1242 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-12_3 molecule −0.3 ± 0.2 work distributions convergence plot
RUN1144 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-a692de38-1_1 molecule −0.3 ± 0.2 work distributions convergence plot
RUN1476 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-15_1 molecule −0.3 ± 0.1 work distributions convergence plot
RUN1151 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-2_1 molecule −0.3 ± 0.2 work distributions convergence plot
RUN981 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-ddb41b15-9_2 molecule −0.3 ± 0.3 work distributions convergence plot
RUN876 ADA-UCB-6c2cb422-1_1 molecule EDG-MED-0da5ad92-18_1 molecule −0.25 ± 0.08 work distributions convergence plot
RUN1159 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_5 molecule −0.3 ± 0.2 work distributions convergence plot
RUN1593 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-29385cc1-2_1 molecule −0.2 ± 0.1 work distributions convergence plot
RUN1407 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-18_2 molecule −0.2 ± 0.2 work distributions convergence plot
RUN838 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-95b75b4d-6_1 molecule −0.2 ± 0.1 work distributions convergence plot
RUN1210 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-5_7 molecule −0.2 ± 0.2 work distributions convergence plot
RUN1379 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-6_2 molecule −0.2 ± 0.2 work distributions convergence plot
RUN1068 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-f7918075-5_1 molecule −0.21 ± 0.02 work distributions convergence plot
RUN1353 ADA-UCB-6c2cb422-1_1 molecule RAL-THA-2d450e86-22_1 molecule −0.2 ± 0.1 work distributions convergence plot
RUN1514 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-b1ef24dc-2_1 molecule −0.2 ± 0.1 work distributions convergence plot
RUN1507 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-f4e47ebd-2_1 molecule −0.2 ± 0.2 work distributions convergence plot
RUN1506 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-f4e47ebd-1_1 molecule −0.2 ± 0.1 work distributions convergence plot
RUN1276 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-8_1 molecule −0.2 ± 0.2 work distributions convergence plot
RUN1561 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-d8472c4f-2_2 molecule −0.2 ± 0.3 work distributions convergence plot
RUN1252 ADA-UCB-6c2cb422-1_1 molecule NAU-LAT-2fed8305-1_1 molecule −0.16 ± 0.04 work distributions convergence plot
RUN1268 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-2_1 molecule −0.2 ± 0.3 work distributions convergence plot
RUN1594 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-c0609ef7-1_1 molecule −0.2 ± 0.1 work distributions convergence plot
RUN1363 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-1_1 molecule −0.2 ± 0.2 work distributions convergence plot
RUN1148 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-2_5 molecule −0.1 ± 0.2 work distributions convergence plot
RUN1343 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-3fc3434e-12_1 molecule −0.1 ± 0.1 work distributions convergence plot
RUN1447 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-2_1 molecule −0.1 ± 0.3 work distributions convergence plot
RUN1540 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-6_1 molecule −0.1 ± 0.2 work distributions convergence plot
RUN1114 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-199e2e7c-2_1 molecule −0.1 ± 0.1 work distributions convergence plot
RUN1228 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-9_8 molecule −0.1 ± 0.2 work distributions convergence plot
RUN1559 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-ac320b15-8_1 molecule −0.1 ± 0.2 work distributions convergence plot
RUN1596 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-29385cc1-1_1 molecule −0.1 ± 0.1 work distributions convergence plot
RUN956 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-14_1 molecule −0.1 ± 0.1 work distributions convergence plot
RUN1157 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_3 molecule −0.1 ± 0.2 work distributions convergence plot
RUN1277 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-10_2 molecule −0.1 ± 0.2 work distributions convergence plot
RUN847 ADA-UCB-6c2cb422-1_1 molecule EDG-MED-0da5ad92-1_1 molecule −0.1 ± 0.1 work distributions convergence plot
RUN1054 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-bb423b95-1_1 molecule −0.07 ± 0.02 work distributions convergence plot
RUN1568 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-b38839dc-1_1 molecule −0.1 ± 0.1 work distributions convergence plot
RUN1370 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-2_1 molecule −0.1 ± 0.2 work distributions convergence plot
RUN1322 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-3fc3434e-1_1 molecule −0.0 ± 0.2 work distributions convergence plot
RUN1364 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-50ce7ec3-4_1 molecule −0.0 ± 0.4 work distributions convergence plot
RUN943 ADA-UCB-6c2cb422-1_1 molecule ABI-SAT-4d06482b-2_1 molecule −0.0 ± 0.1 work distributions convergence plot
RUN951 ADA-UCB-6c2cb422-1_1 molecule ADA-UCB-6c2cb422-1_1 molecule −0.001 ± 0.008 work distributions convergence plot
RUN1161 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-5_1 molecule 0.0 ± 0.2 work distributions convergence plot
RUN1454 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-2_1 molecule 0.02 ± 0.01 work distributions convergence plot
RUN1206 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-6_2 molecule 0.0 ± 0.2 work distributions convergence plot
RUN1270 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-4_1 molecule 0.0 ± 0.2 work distributions convergence plot
RUN1143 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-50cce87d-1_1 molecule 0.04 ± 0.01 work distributions convergence plot
RUN1139 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-50cce87d-3_1 molecule 0.1 ± 0.1 work distributions convergence plot
RUN928 ADA-UCB-6c2cb422-1_1 molecule SAM-UNK-2684b532-1_1 molecule 0.1 ± 0.1 work distributions convergence plot
RUN1439 ADA-UCB-6c2cb422-1_1 molecule JIN-POS-6dc588a4-13_1 molecule 0.08 ± 0.02 work distributions convergence plot
RUN856 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-3_1 molecule 0.1 ± 0.1 work distributions convergence plot
RUN1463 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-16_1 molecule 0.1 ± 0.1 work distributions convergence plot
RUN1471 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-17_1 molecule 0.09 ± 0.03 work distributions convergence plot
RUN1520 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-7574fcc6-1_1 molecule 0.1 ± 0.1 work distributions convergence plot
RUN1280 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-16_1 molecule 0.1 ± 0.1 work distributions convergence plot
RUN1239 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-7_8 molecule 0.1 ± 0.2 work distributions convergence plot
Last updated 2021-11-12T06:11:06.748777+00:00
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