Transformations

Showing 301 through 400 of 100
RUN Atom map Initial microstate Final microstate ΔΔG / kcal M-1 Work distribution Bootstrapping Convergence
RUN1212 MAT-POS-c7726e07-5_1 molecule LUO-POS-b4dec3be-1_1 molecule −0.13 ± 0.03 work distributions bootstrapping convergence
RUN1210 MAT-POS-c7726e07-5_1 molecule LUO-POS-b4dec3be-1_1 molecule −0.12 ± 0.01 work distributions bootstrapping convergence
RUN1215 MAT-POS-c7726e07-5_1 molecule LUO-POS-b4dec3be-2_1 molecule −0.12 ± 0.01 work distributions bootstrapping convergence
RUN1814 MAT-POS-c7726e07-5_1 molecule MAT-POS-38eb6498-3_2 molecule −0.1 ± 0.4 work distributions bootstrapping convergence
RUN1214 MAT-POS-c7726e07-5_1 molecule LUO-POS-b4dec3be-2_1 molecule −0.11 ± 0.02 work distributions bootstrapping convergence
RUN1599 MAT-POS-c7726e07-5_1 molecule ALP-POS-c3a90b22-3_1 molecule −0.1 ± 0.2 work distributions bootstrapping convergence
RUN1579 MAT-POS-c7726e07-5_1 molecule EDJ-MED-6b23330e-2_1 molecule −0.1 ± 0.2 work distributions bootstrapping convergence
RUN1522 MAT-POS-c7726e07-5_1 molecule MAT-POS-69786b79-4_1 molecule −0.1 ± 0.3 work distributions bootstrapping convergence
RUN1397 MAT-POS-c7726e07-5_1 molecule MAT-POS-69786b79-3_1 molecule −0.1 ± 0.2 work distributions bootstrapping convergence
RUN1610 MAT-POS-c7726e07-5_1 molecule MAT-POS-e75f6e44-1_1 molecule −0.1 ± 0.2 work distributions bootstrapping convergence
RUN1552 MAT-POS-c7726e07-5_1 molecule VLA-UNK-61877630-6_1 molecule −0.1 ± 0.2 work distributions bootstrapping convergence
RUN1519 MAT-POS-c7726e07-5_1 molecule MAT-POS-69786b79-4_1 molecule −0.1 ± 0.3 work distributions bootstrapping convergence
RUN2003 MAT-POS-c7726e07-5_1 molecule EDJ-MED-5cd3920d-1_1 molecule −0.1 ± 0.9 work distributions bootstrapping convergence
RUN1626 MAT-POS-c7726e07-5_1 molecule MAT-POS-e75f6e44-5_2 molecule −0.1 ± 0.3 work distributions bootstrapping convergence
RUN1187 MAT-POS-c7726e07-5_1 molecule PET-UNK-7e9559de-1_1 molecule −0.1 ± 0.3 work distributions bootstrapping convergence
RUN1401 MAT-POS-c7726e07-5_1 molecule MAT-POS-69786b79-3_2 molecule −0.1 ± 0.3 work distributions bootstrapping convergence
RUN1520 MAT-POS-c7726e07-5_1 molecule MAT-POS-69786b79-4_1 molecule −0.1 ± 0.3 work distributions bootstrapping convergence
RUN2069 MAT-POS-c7726e07-5_1 molecule MIK-ENA-8063e9dc-1_1 molecule −0.1 ± 0.8 work distributions bootstrapping convergence
RUN2022 MAT-POS-c7726e07-5_1 molecule EDJ-MED-9f4ac58c-8_1 molecule −0.0 ± 0.8 work distributions bootstrapping convergence
RUN1141 MAT-POS-c7726e07-5_1 molecule MAT-POS-c7726e07-6_1 molecule −0.05 ± 0.03 work distributions bootstrapping convergence
RUN1878 MAT-POS-c7726e07-5_1 molecule MIK-ENA-60569a44-1_1 molecule −0.0 ± 0.8 work distributions bootstrapping convergence
RUN1634 MAT-POS-c7726e07-5_1 molecule MAT-POS-e75f6e44-14_1 molecule −0.0 ± 0.4 work distributions bootstrapping convergence
RUN1134 MAT-POS-c7726e07-5_1 molecule EDJ-MED-8bb691af-4_1 molecule −0.03 ± 0.02 work distributions bootstrapping convergence
RUN1144 MAT-POS-c7726e07-5_1 molecule LUO-POS-868e8996-11_1 molecule −0.03 ± 0.02 work distributions bootstrapping convergence
RUN1398 MAT-POS-c7726e07-5_1 molecule MAT-POS-69786b79-3_1 molecule −0.0 ± 0.2 work distributions bootstrapping convergence
RUN1402 MAT-POS-c7726e07-5_1 molecule MAT-POS-69786b79-3_1 molecule −0.0 ± 0.2 work distributions bootstrapping convergence
RUN1577 MAT-POS-c7726e07-5_1 molecule EDJ-MED-4cb9dd84-3_2 molecule −0.0 ± 0.3 work distributions bootstrapping convergence
RUN1228 MAT-POS-c7726e07-5_1 molecule VLA-UNK-5d8210f0-1_1 molecule −0.02 ± 0.06 work distributions bootstrapping convergence
RUN1642 MAT-POS-c7726e07-5_1 molecule EDJ-MED-9f4ac58c-2_1 molecule −0.0 ± 0.5 work distributions bootstrapping convergence
RUN1771 MAT-POS-c7726e07-5_1 molecule MAT-POS-e75f6e44-15_1 molecule −0.0 ± 0.6 work distributions bootstrapping convergence
RUN1138 MAT-POS-c7726e07-5_1 molecule MAT-POS-c7726e07-6_1 molecule −0.0015 ± 0.0010 work distributions bootstrapping convergence
RUN1146 MAT-POS-c7726e07-5_1 molecule LUO-POS-868e8996-11_1 molecule −0.00 ± 0.02 work distributions bootstrapping convergence
RUN1130 MAT-POS-c7726e07-5_1 molecule EDJ-MED-8bb691af-4_1 molecule −0.00 ± 0.02 work distributions bootstrapping convergence
RUN1149 MAT-POS-c7726e07-5_1 molecule LUO-POS-868e8996-12_1 molecule 0.000 ± 0.001 work distributions bootstrapping convergence
RUN1137 MAT-POS-c7726e07-5_1 molecule MAT-POS-c7726e07-5_1 molecule 0.00 ± 0.02 work distributions bootstrapping convergence
RUN1125 MAT-POS-c7726e07-5_1 molecule PET-UNK-aa57768f-3_1 molecule 0.0 ± 0.3 work distributions bootstrapping convergence
RUN1136 MAT-POS-c7726e07-5_1 molecule MAT-POS-c7726e07-5_1 molecule 0.001 ± 0.001 work distributions bootstrapping convergence
RUN1145 MAT-POS-c7726e07-5_1 molecule LUO-POS-868e8996-11_1 molecule 0.001 ± 0.001 work distributions bootstrapping convergence
RUN1152 MAT-POS-c7726e07-5_1 molecule LUO-POS-868e8996-12_1 molecule 0.00 ± 0.03 work distributions bootstrapping convergence
RUN1555 MAT-POS-c7726e07-5_1 molecule VLA-UNK-61877630-6_1 molecule 0.0 ± 0.2 work distributions bootstrapping convergence
RUN1697 MAT-POS-c7726e07-5_1 molecule VLA-UNK-61877630-3_1 molecule 0.0 ± 0.2 work distributions bootstrapping convergence
RUN1133 MAT-POS-c7726e07-5_1 molecule EDJ-MED-8bb691af-4_1 molecule 0.02 ± 0.02 work distributions bootstrapping convergence
RUN1229 MAT-POS-c7726e07-5_1 molecule VLA-UNK-5d8210f0-1_1 molecule 0.02 ± 0.05 work distributions bootstrapping convergence
RUN1139 MAT-POS-c7726e07-5_1 molecule MAT-POS-c7726e07-5_1 molecule 0.02 ± 0.02 work distributions bootstrapping convergence
RUN1143 MAT-POS-c7726e07-5_1 molecule MAT-POS-c7726e07-6_1 molecule 0.03 ± 0.02 work distributions bootstrapping convergence
RUN1557 MAT-POS-c7726e07-5_1 molecule LUO-POS-e1dab717-5_1 molecule 0.0 ± 0.4 work distributions bootstrapping convergence
RUN1148 MAT-POS-c7726e07-5_1 molecule LUO-POS-868e8996-12_1 molecule 0.04 ± 0.02 work distributions bootstrapping convergence
RUN1239 MAT-POS-c7726e07-5_1 molecule MAT-POS-ddfe83c6-6_2 molecule 0.0 ± 0.2 work distributions bootstrapping convergence
RUN1710 MAT-POS-c7726e07-5_1 molecule VLA-UNK-8e615992-4_1 molecule 0.0 ± 0.2 work distributions bootstrapping convergence
RUN1321 MAT-POS-c7726e07-5_1 molecule LUO-POS-8c3e556a-2_1 molecule 0.0 ± 0.3 work distributions bootstrapping convergence
RUN1351 MAT-POS-c7726e07-5_1 molecule MAT-POS-566864e2-4_1 molecule 0.0 ± 0.2 work distributions bootstrapping convergence
RUN1938 MAT-POS-c7726e07-5_1 molecule MAT-POS-38eb6498-4_1 molecule 0.0 ± 0.6 work distributions bootstrapping convergence
RUN1970 MAT-POS-c7726e07-5_1 molecule MIK-ENA-e143773d-1_2 molecule 0.0 ± 0.9 work distributions bootstrapping convergence
RUN1201 MAT-POS-c7726e07-5_1 molecule MAT-POS-50a80394-4_1 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN1287 MAT-POS-c7726e07-5_1 molecule MAT-POS-576f7758-1_1 molecule 0.1 ± 0.2 work distributions bootstrapping convergence
RUN1429 MAT-POS-c7726e07-5_1 molecule VLA-UNK-f2612802-3_1 molecule 0.1 ± 0.4 work distributions bootstrapping convergence
RUN1285 MAT-POS-c7726e07-5_1 molecule MAT-POS-69786b79-2_1 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN1731 MAT-POS-c7726e07-5_1 molecule EDJ-MED-40e596c8-5_1 molecule 0.1 ± 0.4 work distributions bootstrapping convergence
RUN1850 MAT-POS-c7726e07-5_1 molecule LUO-POS-e1dab717-9_1 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN1649 MAT-POS-c7726e07-5_1 molecule EDJ-MED-9f4ac58c-6_1 molecule 0.1 ± 0.6 work distributions bootstrapping convergence
RUN1535 MAT-POS-c7726e07-5_1 molecule EDJ-MED-98c0a822-4_1 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN1216 MAT-POS-c7726e07-5_1 molecule LUO-POS-b4dec3be-2_2 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN1909 MAT-POS-c7726e07-5_1 molecule MIK-ENA-623fe2a6-1_2 molecule 0.1 ± 0.8 work distributions bootstrapping convergence
RUN2004 MAT-POS-c7726e07-5_1 molecule LUO-POS-e1dab717-7_2 molecule 0.1 ± 0.7 work distributions bootstrapping convergence
RUN1233 MAT-POS-c7726e07-5_1 molecule VLA-UNK-5d8210f0-1_1 molecule 0.10 ± 0.04 work distributions bootstrapping convergence
RUN1695 MAT-POS-c7726e07-5_1 molecule VLA-UNK-61877630-3_1 molecule 0.1 ± 0.2 work distributions bootstrapping convergence
RUN1147 MAT-POS-c7726e07-5_1 molecule LUO-POS-868e8996-11_2 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN1183 MAT-POS-c7726e07-5_1 molecule MAT-POS-1d5ab790-2_1 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN1924 MAT-POS-c7726e07-5_1 molecule EDJ-MED-33064c06-17_1 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN1621 MAT-POS-c7726e07-5_1 molecule MAT-POS-e75f6e44-4_1 molecule 0.1 ± 0.2 work distributions bootstrapping convergence
RUN1135 MAT-POS-c7726e07-5_1 molecule EDJ-MED-8bb691af-4_2 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN1284 MAT-POS-c7726e07-5_1 molecule MAT-POS-69786b79-2_1 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN1999 MAT-POS-c7726e07-5_1 molecule VLA-UNK-61877630-9_1 molecule 0.1 ± 0.6 work distributions bootstrapping convergence
RUN1582 MAT-POS-c7726e07-5_1 molecule EDJ-MED-6b23330e-4_2 molecule 0.1 ± 0.4 work distributions bootstrapping convergence
RUN1257 MAT-POS-c7726e07-5_1 molecule EDG-MED-b1ef7fe3-3_1 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN1877 MAT-POS-c7726e07-5_1 molecule MIK-ENA-bb7b6957-1_1 molecule 0.1 ± 0.8 work distributions bootstrapping convergence
RUN1263 MAT-POS-c7726e07-5_1 molecule MAT-POS-853c0ffa-1_1 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN1620 MAT-POS-c7726e07-5_1 molecule MAT-POS-e75f6e44-4_1 molecule 0.2 ± 0.2 work distributions bootstrapping convergence
RUN1783 MAT-POS-c7726e07-5_1 molecule MAT-POS-e75f6e44-18_1 molecule 0.2 ± 0.6 work distributions bootstrapping convergence
RUN1915 MAT-POS-c7726e07-5_1 molecule EDJ-MED-33064c06-11_1 molecule 0.2 ± 0.5 work distributions bootstrapping convergence
RUN1294 MAT-POS-c7726e07-5_1 molecule MAT-POS-576f7758-1_1 molecule 0.2 ± 0.2 work distributions bootstrapping convergence
RUN1197 MAT-POS-c7726e07-5_1 molecule MAT-POS-50a80394-4_1 molecule 0.2 ± 0.3 work distributions bootstrapping convergence
RUN1478 MAT-POS-c7726e07-5_1 molecule ALP-POS-c3a90b22-2_1 molecule 0.2 ± 0.3 work distributions bootstrapping convergence
RUN1302 MAT-POS-c7726e07-5_1 molecule MAT-POS-50a80394-5_1 molecule 0.2 ± 0.3 work distributions bootstrapping convergence
RUN1598 MAT-POS-c7726e07-5_1 molecule EDJ-MED-6b23330e-7_1 molecule 0.2 ± 0.2 work distributions bootstrapping convergence
RUN1126 MAT-POS-c7726e07-5_1 molecule PET-UNK-aa57768f-3_1 molecule 0.2 ± 0.3 work distributions bootstrapping convergence
RUN1182 MAT-POS-c7726e07-5_1 molecule ALP-POS-afe0272e-1_1 molecule 0.22 ± 0.08 work distributions bootstrapping convergence
RUN1329 MAT-POS-c7726e07-5_1 molecule VLA-UNK-61877630-4_1 molecule 0.2 ± 0.3 work distributions bootstrapping convergence
RUN1185 MAT-POS-c7726e07-5_1 molecule MAT-POS-1d5ab790-2_1 molecule 0.2 ± 0.3 work distributions bootstrapping convergence
RUN1615 MAT-POS-c7726e07-5_1 molecule MAT-POS-e75f6e44-3_1 molecule 0.2 ± 0.3 work distributions bootstrapping convergence
RUN2063 MAT-POS-c7726e07-5_1 molecule PET-UNK-c6bcc80b-4_1 molecule 0.2 ± 0.9 work distributions bootstrapping convergence
RUN1595 MAT-POS-c7726e07-5_1 molecule EDJ-MED-6b23330e-7_1 molecule 0.3 ± 0.2 work distributions bootstrapping convergence
RUN1780 MAT-POS-c7726e07-5_1 molecule MAT-POS-e75f6e44-17_2 molecule 0.3 ± 0.4 work distributions bootstrapping convergence
RUN1240 MAT-POS-c7726e07-5_1 molecule JOH-MSK-4bb3d434-1_1 molecule 0.3 ± 0.3 work distributions bootstrapping convergence
RUN2152 MAT-POS-c7726e07-5_1 molecule MIC-UNK-c85ea37c-3_2 molecule 0.3 ± 0.9 work distributions bootstrapping convergence
RUN1716 MAT-POS-c7726e07-5_1 molecule EDJ-MED-6b23330e-3_1 molecule 0.3 ± 0.2 work distributions bootstrapping convergence
RUN1232 MAT-POS-c7726e07-5_1 molecule VLA-UNK-5d8210f0-2_2 molecule 0.3 ± 0.3 work distributions bootstrapping convergence
RUN1756 MAT-POS-c7726e07-5_1 molecule MAT-POS-e75f6e44-10_1 molecule 0.3 ± 0.1 work distributions bootstrapping convergence
RUN1490 MAT-POS-c7726e07-5_1 molecule EDJ-MED-33064c06-18_1 molecule 0.3 ± 0.2 work distributions bootstrapping convergence
RUN1758 MAT-POS-c7726e07-5_1 molecule MAT-POS-e75f6e44-10_1 molecule 0.3 ± 0.1 work distributions bootstrapping convergence
Last updated 2022-02-23T16:09:21.628143+00:00
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