Transformations

Showing 1 through 100 of 100
RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distribution Convergence
RUN1308 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-56cf811e-1_1 molecule −6.4 ± 0.1 work distributions convergence plot
RUN886 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-9f475305-8_1 molecule −6.1 ± 0.3 work distributions convergence plot
RUN891 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-9f475305-8_2 molecule −5.8 ± 0.2 work distributions convergence plot
RUN1317 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-12d8d43f-2_1 molecule −5.1 ± 0.2 work distributions convergence plot
RUN1300 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-7_2 molecule −3.9 ± 0.2 work distributions convergence plot
RUN1077 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-bfb445d4-2_1 molecule −3.9 ± 0.1 work distributions convergence plot
RUN1312 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-7_3 molecule −3.3 ± 0.2 work distributions convergence plot
RUN1393 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-13_2 molecule −3.2 ± 0.2 work distributions convergence plot
RUN1110 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-17_1 molecule −3.0 ± 0.1 work distributions convergence plot
RUN920 ADA-UCB-6c2cb422-1_1 molecule BAR-COM-0f94fc3d-24_1 molecule −2.8 ± 0.1 work distributions convergence plot
RUN1238 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-12_7 molecule −2.6 ± 0.1 work distributions convergence plot
RUN851 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-2_1 molecule −2.4 ± 0.1 work distributions convergence plot
RUN1377 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-9_2 molecule −2.3 ± 0.2 work distributions convergence plot
RUN1100 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-8_1 molecule −2.3 ± 0.1 work distributions convergence plot
RUN819 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-7_1 molecule −2.3 ± 0.2 work distributions convergence plot
RUN1020 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-c66144cb-3_2 molecule −2.3 ± 0.2 work distributions convergence plot
RUN1473 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-18_1 molecule −2.26 ± 0.03 work distributions convergence plot
RUN1536 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-9_1 molecule −2.1 ± 0.2 work distributions convergence plot
RUN1569 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-8293a91a-7_1 molecule −2.1 ± 0.2 work distributions convergence plot
RUN1095 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-1_1 molecule −2.1 ± 0.1 work distributions convergence plot
RUN1578 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-8293a91a-6_1 molecule −2.0 ± 0.2 work distributions convergence plot
RUN993 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-3b848b35-4_2 molecule −2.0 ± 0.2 work distributions convergence plot
RUN1556 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-ac320b15-7_1 molecule −2.0 ± 0.2 work distributions convergence plot
RUN1512 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-076d6e64-1_1 molecule −2.0 ± 0.1 work distributions convergence plot
RUN861 ADA-UCB-6c2cb422-1_1 molecule BAR-COM-ebf5acce-14_1 molecule −2.0 ± 0.2 work distributions convergence plot
RUN1383 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-6_3 molecule −2.0 ± 0.2 work distributions convergence plot
RUN848 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-9_1 molecule −2.0 ± 0.1 work distributions convergence plot
RUN1001 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-20_2 molecule −2.0 ± 0.2 work distributions convergence plot
RUN1189 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_1 molecule −1.9 ± 0.1 work distributions convergence plot
RUN1043 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-d36ab305-4_2 molecule −1.9 ± 0.2 work distributions convergence plot
RUN1531 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-21_1 molecule −1.9 ± 0.2 work distributions convergence plot
RUN1314 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-7_4 molecule −1.9 ± 0.2 work distributions convergence plot
RUN1234 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-12_1 molecule −1.9 ± 0.2 work distributions convergence plot
RUN1426 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-3_1 molecule −1.8 ± 0.2 work distributions convergence plot
RUN1000 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-18_2 molecule −1.8 ± 0.2 work distributions convergence plot
RUN1483 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-dc1d9354-1_1 molecule −1.8 ± 0.1 work distributions convergence plot
RUN1398 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-15_1 molecule −1.8 ± 0.2 work distributions convergence plot
RUN1397 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-11_5 molecule −1.8 ± 0.2 work distributions convergence plot
RUN1047 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-c66144cb-1_2 molecule −1.8 ± 0.2 work distributions convergence plot
RUN1416 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-a13804f0-1_3 molecule −1.8 ± 0.2 work distributions convergence plot
RUN1150 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-2_2 molecule −1.7 ± 0.2 work distributions convergence plot
RUN1502 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-1_1 molecule −1.7 ± 0.2 work distributions convergence plot
RUN1253 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-c749d764-22_6 molecule −1.7 ± 0.2 work distributions convergence plot
RUN1542 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-29_1 molecule −1.7 ± 0.2 work distributions convergence plot
RUN1044 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-c66144cb-2_2 molecule −1.7 ± 0.2 work distributions convergence plot
RUN865 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-4_1 molecule −1.6 ± 0.1 work distributions convergence plot
RUN1484 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-411a133b-1_1 molecule −1.6 ± 0.1 work distributions convergence plot
RUN863 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-9f475305-3_2 molecule −1.6 ± 0.1 work distributions convergence plot
RUN1382 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-6_4 molecule −1.6 ± 0.2 work distributions convergence plot
RUN1424 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-3_2 molecule −1.6 ± 0.2 work distributions convergence plot
RUN944 ADA-UCB-6c2cb422-1_1 molecule SAM-UNK-2684b532-3_2 molecule −1.6 ± 0.1 work distributions convergence plot
RUN1526 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-1_1 molecule −1.5 ± 0.2 work distributions convergence plot
RUN1263 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-6_1 molecule −1.5 ± 0.2 work distributions convergence plot
RUN1380 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-9a7dc93f-7_1 molecule −1.34 ± 0.05 work distributions convergence plot
RUN1192 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-4_6 molecule −1.3 ± 0.2 work distributions convergence plot
RUN1555 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-ac320b15-5_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN1109 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-13_1 molecule −1.3 ± 0.1 work distributions convergence plot
RUN1546 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-25_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN1409 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-12_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN1573 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-8293a91a-2_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN1204 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-4_8 molecule −1.3 ± 0.3 work distributions convergence plot
RUN1291 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-3_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN1515 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-5_2 molecule −1.3 ± 0.2 work distributions convergence plot
RUN1532 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-5_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN1281 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-c749d764-6_4 molecule −1.3 ± 0.3 work distributions convergence plot
RUN1501 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-6314f867-3_1 molecule −1.3 ± 0.1 work distributions convergence plot
RUN1385 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-11_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN1187 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_10 molecule −1.3 ± 0.2 work distributions convergence plot
RUN1061 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-bb423b95-8_1 molecule −1.3 ± 0.1 work distributions convergence plot
RUN1207 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-1_4 molecule −1.2 ± 0.2 work distributions convergence plot
RUN1395 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-14_1 molecule −1.2 ± 0.3 work distributions convergence plot
RUN1411 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-4_4 molecule −1.2 ± 0.2 work distributions convergence plot
RUN1190 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_14 molecule −1.2 ± 0.2 work distributions convergence plot
RUN1535 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-3_1 molecule −1.2 ± 0.2 work distributions convergence plot
RUN1134 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-97c1bf5c-2_1 molecule −1.2 ± 0.1 work distributions convergence plot
RUN1419 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-a13804f0-4_1 molecule −1.2 ± 0.2 work distributions convergence plot
RUN1121 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-5ecb6237-1_1 molecule −1.2 ± 0.2 work distributions convergence plot
RUN1334 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-ee5ed7c8-6_2 molecule −1.2 ± 0.1 work distributions convergence plot
RUN1366 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-2_2 molecule −1.2 ± 0.2 work distributions convergence plot
RUN1523 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-10339a1d-1_1 molecule −1.2 ± 0.2 work distributions convergence plot
RUN1318 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-3_1 molecule −1.2 ± 0.2 work distributions convergence plot
RUN1368 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-3_2 molecule −1.1 ± 0.2 work distributions convergence plot
RUN1194 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_12 molecule −1.1 ± 0.2 work distributions convergence plot
RUN1389 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-11_3 molecule −1.1 ± 0.2 work distributions convergence plot
RUN835 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-15_1 molecule −1.1 ± 0.2 work distributions convergence plot
RUN1041 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-d36ab305-1_2 molecule −1.1 ± 0.1 work distributions convergence plot
RUN1152 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_2 molecule −1.1 ± 0.2 work distributions convergence plot
RUN1279 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-7_1 molecule −1.1 ± 0.2 work distributions convergence plot
RUN1355 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-3fc3434e-7_2 molecule −1.1 ± 0.2 work distributions convergence plot
RUN1394 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-11_7 molecule −1.1 ± 0.2 work distributions convergence plot
RUN1376 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-9_1 molecule −1.0 ± 0.2 work distributions convergence plot
RUN1365 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-1_2 molecule −1.0 ± 0.2 work distributions convergence plot
RUN1169 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_6 molecule −1.0 ± 0.2 work distributions convergence plot
RUN1499 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-6314f867-2_1 molecule −1.0 ± 0.2 work distributions convergence plot
RUN1440 ADA-UCB-6c2cb422-1_1 molecule JIN-POS-6dc588a4-16_1 molecule −1.0 ± 0.1 work distributions convergence plot
RUN1580 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-b38839dc-2_1 molecule −1.0 ± 0.1 work distributions convergence plot
RUN1567 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-ac320b15-9_1 molecule −1.0 ± 0.2 work distributions convergence plot
RUN1488 ADA-UCB-6c2cb422-1_1 molecule ROB-UNI-daaf9793-3_1 molecule −0.9 ± 0.1 work distributions convergence plot
RUN1449 ADA-UCB-6c2cb422-1_1 molecule JIN-POS-6dc588a4-17_1 molecule −0.9 ± 0.2 work distributions convergence plot
RUN1527 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-7_1 molecule −0.9 ± 0.2 work distributions convergence plot
Last updated 2021-11-12T06:11:06.748777+00:00
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