Transformations

Showing 1 through 100 of 732
RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distribution Convergence
RUN1214 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-10_2 molecule −3.9 ± 0.2 work distributions convergence plot
RUN1200 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-6_1 molecule −3.64 ± 0.09 work distributions convergence plot
RUN931 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-18_2 molecule −3.5 ± 0.1 work distributions convergence plot
RUN785 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-8_1 molecule −3.3 ± 0.1 work distributions convergence plot
RUN932 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-20_2 molecule −3.3 ± 0.1 work distributions convergence plot
RUN1078 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-97c1bf5c-2_1 molecule −3.22 ± 0.10 work distributions convergence plot
RUN1279 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-3fc3434e-7_2 molecule −3.2 ± 0.2 work distributions convergence plot
RUN1426 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-076d6e64-1_1 molecule −3.12 ± 0.08 work distributions convergence plot
RUN934 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-3b848b35-4_2 molecule −2.9 ± 0.2 work distributions convergence plot
RUN1016 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-bfb445d4-2_1 molecule −2.89 ± 0.08 work distributions convergence plot
RUN1082 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-3_1 molecule −2.86 ± 0.09 work distributions convergence plot
RUN894 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-17_1 molecule −2.60 ± 0.08 work distributions convergence plot
RUN876 ADA-UCB-6c2cb422-1_1 molecule SAM-UNK-2684b532-3_2 molecule −2.6 ± 0.1 work distributions convergence plot
RUN952 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-c66144cb-3_2 molecule −2.6 ± 0.2 work distributions convergence plot
RUN803 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-4_1 molecule −2.5 ± 0.1 work distributions convergence plot
RUN1271 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-ee5ed7c8-7_2 molecule −2.5 ± 0.2 work distributions convergence plot
RUN844 ADA-UCB-6c2cb422-1_1 molecule BAR-COM-0f94fc3d-24_1 molecule −2.27 ± 0.10 work distributions convergence plot
RUN791 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-1_1 molecule −2.27 ± 0.08 work distributions convergence plot
RUN1127 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-4_6 molecule −2.2 ± 0.3 work distributions convergence plot
RUN768 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-15_1 molecule −2.23 ± 0.09 work distributions convergence plot
RUN1208 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-10_1 molecule −2.2 ± 0.1 work distributions convergence plot
RUN799 ADA-UCB-6c2cb422-1_1 molecule EDG-MED-0da5ad92-1_1 molecule −2.12 ± 0.09 work distributions convergence plot
RUN956 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-8df914d1-4_1 molecule −2.11 ± 0.09 work distributions convergence plot
RUN1213 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-c749d764-22_8 molecule −2.0 ± 0.3 work distributions convergence plot
RUN797 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-2_1 molecule −1.9 ± 0.1 work distributions convergence plot
RUN1382 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-14_1 molecule −1.92 ± 0.09 work distributions convergence plot
RUN1185 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-67d4a29a-4_1 molecule −1.9 ± 0.1 work distributions convergence plot
RUN1322 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-10_2 molecule −1.9 ± 0.2 work distributions convergence plot
RUN811 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-9f475305-3_1 molecule −1.9 ± 0.1 work distributions convergence plot
RUN1351 ADA-UCB-6c2cb422-1_1 molecule JIN-POS-6dc588a4-16_1 molecule −1.86 ± 0.08 work distributions convergence plot
RUN804 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-9f475305-3_2 molecule −1.9 ± 0.1 work distributions convergence plot
RUN996 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-f7918075-7_1 molecule −1.83 ± 0.08 work distributions convergence plot
RUN1045 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-7_1 molecule −1.70 ± 0.09 work distributions convergence plot
RUN1320 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-6_4 molecule −1.7 ± 0.1 work distributions convergence plot
RUN1276 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-3fc3434e-7_1 molecule −1.7 ± 0.1 work distributions convergence plot
RUN1398 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-dc1d9354-1_1 molecule −1.7 ± 0.1 work distributions convergence plot
RUN808 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-7_1 molecule −1.68 ± 0.09 work distributions convergence plot
RUN1270 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-ee5ed7c8-7_1 molecule −1.7 ± 0.1 work distributions convergence plot
RUN1436 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-6_1 molecule −1.7 ± 0.2 work distributions convergence plot
RUN1006 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-f7918075-5_1 molecule −1.64 ± 0.08 work distributions convergence plot
RUN759 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-8_1 molecule −1.63 ± 0.09 work distributions convergence plot
RUN1201 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-5_1 molecule −1.6 ± 0.1 work distributions convergence plot
RUN1232 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-7_3 molecule −1.6 ± 0.1 work distributions convergence plot
RUN1051 ADA-UCB-6c2cb422-1_1 molecule RIT-UNK-fa3975ff-1_2 molecule −1.6 ± 0.1 work distributions convergence plot
RUN1458 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-b38839dc-2_1 molecule −1.6 ± 0.1 work distributions convergence plot
RUN883 ADA-UCB-6c2cb422-1_1 molecule SAM-UNK-2684b532-3_1 molecule −1.6 ± 0.1 work distributions convergence plot
RUN936 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-19_2 molecule −1.5 ± 0.1 work distributions convergence plot
RUN897 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-14_1 molecule −1.5 ± 0.1 work distributions convergence plot
RUN1050 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-199e2e7c-2_1 molecule −1.47 ± 0.10 work distributions convergence plot
RUN1319 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-6_1 molecule −1.5 ± 0.2 work distributions convergence plot
RUN1042 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-8_1 molecule −1.44 ± 0.10 work distributions convergence plot
RUN1358 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-1_1 molecule −1.43 ± 0.09 work distributions convergence plot
RUN1316 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-10_1 molecule −1.4 ± 0.2 work distributions convergence plot
RUN1399 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-411a133b-1_1 molecule −1.41 ± 0.09 work distributions convergence plot
RUN1075 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-d935700b-1_1 molecule −1.4 ± 0.1 work distributions convergence plot
RUN912 ADA-UCB-6c2cb422-1_1 molecule ADA-UCB-6c2cb422-9_1 molecule −1.4 ± 0.2 work distributions convergence plot
RUN979 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-c66144cb-2_2 molecule −1.4 ± 0.1 work distributions convergence plot
RUN1284 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-3fc3434e-6_2 molecule −1.36 ± 0.10 work distributions convergence plot
RUN1453 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-5_1 molecule −1.4 ± 0.2 work distributions convergence plot
RUN1265 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-3fc3434e-5_1 molecule −1.3 ± 0.1 work distributions convergence plot
RUN983 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-c66144cb-1_2 molecule −1.3 ± 0.1 work distributions convergence plot
RUN1309 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-50ce7ec3-5_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN1187 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-c749d764-22_6 molecule −1.2 ± 0.3 work distributions convergence plot
RUN1323 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-18_1 molecule −1.2 ± 0.2 work distributions convergence plot
RUN1466 ADA-UCB-6c2cb422-1_1 molecule BEN-DND-1e24cf73-2_1 molecule −1.2 ± 0.1 work distributions convergence plot
RUN998 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-f7918075-4_1 molecule −1.23 ± 0.08 work distributions convergence plot
RUN1081 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-3_2 molecule −1.2 ± 0.1 work distributions convergence plot
RUN1424 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-e274cad4-1_1 molecule −1.17 ± 0.08 work distributions convergence plot
RUN1321 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-17_2 molecule −1.2 ± 0.2 work distributions convergence plot
RUN1413 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-5_2 molecule −1.2 ± 0.1 work distributions convergence plot
RUN1077 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-50cce87d-2_1 molecule −1.15 ± 0.08 work distributions convergence plot
RUN1267 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-ee5ed7c8-6_2 molecule −1.15 ± 0.10 work distributions convergence plot
RUN839 ADA-UCB-6c2cb422-1_1 molecule JAG-UCB-a3ef7265-10_1 molecule −1.1 ± 0.1 work distributions convergence plot
RUN1244 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-7_2 molecule −1.1 ± 0.1 work distributions convergence plot
RUN1133 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-1_4 molecule −1.1 ± 0.2 work distributions convergence plot
RUN1403 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-f92d7c0c-2_1 molecule −1.1 ± 0.1 work distributions convergence plot
RUN1251 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-7_4 molecule −1.0 ± 0.2 work distributions convergence plot
RUN1384 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-20_1 molecule −1.0 ± 0.1 work distributions convergence plot
RUN1325 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-17_1 molecule −1.0 ± 0.2 work distributions convergence plot
RUN1125 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-6_1 molecule −1.0 ± 0.1 work distributions convergence plot
RUN1302 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-16_1 molecule −1.0 ± 0.2 work distributions convergence plot
RUN1440 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-8_1 molecule −1.0 ± 0.2 work distributions convergence plot
RUN1448 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-2_1 molecule −1.0 ± 0.2 work distributions convergence plot
RUN1001 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-bb423b95-8_1 molecule −0.95 ± 0.08 work distributions convergence plot
RUN1415 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-6314f867-2_1 molecule −0.94 ± 0.08 work distributions convergence plot
RUN1417 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-6314f867-3_1 molecule −0.93 ± 0.10 work distributions convergence plot
RUN1146 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-6_2 molecule −0.9 ± 0.1 work distributions convergence plot
RUN1311 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-8_1 molecule −0.9 ± 0.2 work distributions convergence plot
RUN957 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-8971c93c-1_1 molecule −0.90 ± 0.07 work distributions convergence plot
RUN909 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-3fc1724e-8_2 molecule −0.9 ± 0.2 work distributions convergence plot
RUN1179 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-12_5 molecule −0.9 ± 0.2 work distributions convergence plot
RUN955 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-8df914d1-5_1 molecule −0.79 ± 0.09 work distributions convergence plot
RUN1313 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-6_3 molecule −0.8 ± 0.1 work distributions convergence plot
RUN1452 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-5_1 molecule −0.8 ± 0.2 work distributions convergence plot
RUN1455 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-22_1 molecule −0.7 ± 0.2 work distributions convergence plot
RUN1412 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-f92d7c0c-1_1 molecule −0.74 ± 0.10 work distributions convergence plot
RUN1199 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-c749d764-6_4 molecule −0.7 ± 0.2 work distributions convergence plot
RUN801 ADA-UCB-6c2cb422-1_1 molecule BAR-COM-ebf5acce-11_1 molecule −0.7 ± 0.2 work distributions convergence plot
RUN1105 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_4 molecule −0.7 ± 0.2 work distributions convergence plot
RUN1326 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-12_1 molecule −0.7 ± 0.1 work distributions convergence plot
Last updated 2021-06-30T15:33:58.277093+00:00
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