Transformations

Showing 1 through 100 of 5077
RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distribution Convergence
RUN949 PET-UNK-29afea89-2_1 molecule MAK-UNK-c749d764-11_1 molecule −11.0 ± 0.2 work distributions convergence plot
RUN227 PET-UNK-29afea89-2_1 molecule LON-WEI-4d77710c-38_1 molecule −9.9 ± 0.2 work distributions convergence plot
RUN1424 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_16 molecule −9.7 ± 0.3 work distributions convergence plot
RUN932 PET-UNK-29afea89-2_1 molecule MAK-UNK-c749d764-6_1 molecule −9.5 ± 0.2 work distributions convergence plot
RUN4249 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_34 molecule −9.5 ± 0.2 work distributions convergence plot
RUN1418 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_9 molecule −7.5 ± 0.5 work distributions convergence plot
RUN1359 PET-UNK-29afea89-2_1 molecule LON-WEI-5e7d1b3e-48_1 molecule −7.5 ± 0.2 work distributions convergence plot
RUN4099 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-21_2 molecule −7.5 ± 0.3 work distributions convergence plot
RUN3693 PET-UNK-29afea89-2_1 molecule KAD-UNI-cb0f2bbc-11_1 molecule −7.3 ± 0.1 work distributions convergence plot
RUN3486 PET-UNK-29afea89-2_1 molecule EDJ-MED-611d11e7-1_1 molecule −7.0 ± 0.1 work distributions convergence plot
RUN2900 PET-UNK-29afea89-2_1 molecule DAR-DIA-ecdbc7dd-14_1 molecule −6.9 ± 0.3 work distributions convergence plot
RUN3633 PET-UNK-29afea89-2_1 molecule ALF-EVA-b701bd13-3_1 molecule −6.9 ± 0.1 work distributions convergence plot
RUN1507 PET-UNK-29afea89-2_1 molecule LAU-MED-88a3970a-11_1 molecule −6.9 ± 0.2 work distributions convergence plot
RUN527 PET-UNK-29afea89-2_1 molecule MIC-UNK-cdc2493e-4_1 molecule −6.8 ± 0.3 work distributions convergence plot
RUN2838 PET-UNK-29afea89-2_1 molecule EDJ-MED-ee07cf00-14_2 molecule −6.6 ± 0.2 work distributions convergence plot
RUN3631 PET-UNK-29afea89-2_1 molecule ALF-EVA-b701bd13-1_2 molecule −6.5 ± 0.1 work distributions convergence plot
RUN4047 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-12_3 molecule −6.3 ± 0.2 work distributions convergence plot
RUN1353 PET-UNK-29afea89-2_1 molecule LON-WEI-5e7d1b3e-44_1 molecule −6.3 ± 0.2 work distributions convergence plot
RUN2760 PET-UNK-29afea89-2_1 molecule ALF-EVA-0b412456-6_1 molecule −6.3 ± 0.2 work distributions convergence plot
RUN161 PET-UNK-29afea89-2_1 molecule VLA-UCB-1dbca3b4-10_2 molecule −6.1 ± 0.2 work distributions convergence plot
RUN2840 PET-UNK-29afea89-2_1 molecule EDJ-MED-ee07cf00-15_1 molecule −6.0 ± 0.2 work distributions convergence plot
RUN68 PET-UNK-29afea89-2_1 molecule MAT-POS-b5746674-34_2 molecule −6.0 ± 0.2 work distributions convergence plot
RUN162 PET-UNK-29afea89-2_1 molecule VLA-UCB-1dbca3b4-12_1 molecule −6.0 ± 0.2 work distributions convergence plot
RUN4109 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-24_1 molecule −5.9 ± 0.2 work distributions convergence plot
RUN4059 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_11 molecule −5.9 ± 0.2 work distributions convergence plot
RUN2763 PET-UNK-29afea89-2_1 molecule ALF-EVA-0b412456-8_2 molecule −5.8 ± 0.2 work distributions convergence plot
RUN2694 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-20_1 molecule −5.8 ± 0.2 work distributions convergence plot
RUN7 PET-UNK-29afea89-2_1 molecule MAK-UNK-6ca90168-25_1 molecule −5.8 ± 0.2 work distributions convergence plot
RUN3482 PET-UNK-29afea89-2_1 molecule MAT-POS-a13804f0-1_3 molecule −5.7 ± 0.1 work distributions convergence plot
RUN809 PET-UNK-29afea89-2_1 molecule DAR-DIA-0d514e7d-6_1 molecule −5.6 ± 0.2 work distributions convergence plot
RUN2810 PET-UNK-29afea89-2_1 molecule EDJ-MED-ee07cf00-5_1 molecule −5.5 ± 0.2 work distributions convergence plot
RUN16 PET-UNK-29afea89-2_1 molecule JAN-GHE-f375bf5b-1_2 molecule −5.4 ± 0.2 work distributions convergence plot
RUN57 PET-UNK-29afea89-2_1 molecule ALP-POS-3b848b35-1_1 molecule −5.4 ± 0.3 work distributions convergence plot
RUN166 PET-UNK-29afea89-2_1 molecule VLA-UCB-1dbca3b4-17_1 molecule −5.4 ± 0.4 work distributions convergence plot
RUN2791 PET-UNK-29afea89-2_1 molecule ALF-EVA-ced740bd-2_1 molecule −5.4 ± 0.2 work distributions convergence plot
RUN2680 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-15_7 molecule −5.0 ± 0.2 work distributions convergence plot
RUN1236 PET-UNK-29afea89-2_1 molecule RAL-THA-4aa06b95-4_2 molecule −4.9 ± 0.1 work distributions convergence plot
RUN3503 PET-UNK-29afea89-2_1 molecule MIC-UNK-0a05c952-1_7 molecule −4.9 ± 0.2 work distributions convergence plot
RUN247 PET-UNK-29afea89-2_1 molecule LON-WEI-4d77710c-55_1 molecule −4.9 ± 0.2 work distributions convergence plot
RUN1368 PET-UNK-29afea89-2_1 molecule LON-WEI-5e7d1b3e-59_1 molecule −4.9 ± 0.2 work distributions convergence plot
RUN311 PET-UNK-29afea89-2_1 molecule VLA-UCB-05e51b3f-5_1 molecule −4.8 ± 0.1 work distributions convergence plot
RUN4091 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-18_1 molecule −4.8 ± 0.2 work distributions convergence plot
RUN350 PET-UNK-29afea89-2_1 molecule DAR-DIA-6a508060-9_2 molecule −4.7 ± 0.4 work distributions convergence plot
RUN39 PET-UNK-29afea89-2_1 molecule ERI-UCB-ce40166b-4_1 molecule −4.7 ± 0.2 work distributions convergence plot
RUN216 PET-UNK-29afea89-2_1 molecule LON-WEI-4d77710c-34_1 molecule −4.6 ± 0.3 work distributions convergence plot
RUN210 PET-UNK-29afea89-2_1 molecule LON-WEI-4d77710c-23_1 molecule −4.6 ± 0.2 work distributions convergence plot
RUN107 PET-UNK-29afea89-2_1 molecule MAT-POS-2492181e-10_3 molecule −4.5 ± 0.2 work distributions convergence plot
RUN1405 PET-UNK-29afea89-2_1 molecule DAR-DIA-076fb6ea-15_1 molecule −4.5 ± 0.3 work distributions convergence plot
RUN844 PET-UNK-29afea89-2_1 molecule DAR-DIA-0d514e7d-31_11 molecule −4.5 ± 0.4 work distributions convergence plot
RUN322 PET-UNK-29afea89-2_1 molecule VLA-UCB-05e51b3f-7_1 molecule −4.5 ± 0.2 work distributions convergence plot
RUN101 PET-UNK-29afea89-2_1 molecule MAT-POS-2492181e-6_1 molecule −4.5 ± 0.2 work distributions convergence plot
RUN186 PET-UNK-29afea89-2_1 molecule MAT-POS-f7918075-2_2 molecule −4.5 ± 0.5 work distributions convergence plot
RUN1380 PET-UNK-29afea89-2_1 molecule DAR-DIA-5ff57136-13_1 molecule −4.4 ± 0.2 work distributions convergence plot
RUN1481 PET-UNK-29afea89-2_1 molecule BEN-DND-a7517465-5_1 molecule −4.4 ± 0.3 work distributions convergence plot
RUN2759 PET-UNK-29afea89-2_1 molecule ALF-EVA-0b412456-5_2 molecule −4.4 ± 0.2 work distributions convergence plot
RUN158 PET-UNK-29afea89-2_1 molecule MIC-UNK-d36ab305-4_1 molecule −4.4 ± 0.2 work distributions convergence plot
RUN4161 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-40_1 molecule −4.3 ± 0.1 work distributions convergence plot
RUN4103 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-22_3 molecule −4.3 ± 0.3 work distributions convergence plot
RUN75 PET-UNK-29afea89-2_1 molecule MAT-POS-b5746674-98_2 molecule −4.3 ± 0.2 work distributions convergence plot
RUN405 PET-UNK-29afea89-2_1 molecule DAR-DIA-23e5a6a0-3_1 molecule −4.2 ± 0.2 work distributions convergence plot
RUN220 PET-UNK-29afea89-2_1 molecule LON-WEI-4d77710c-37_1 molecule −4.2 ± 0.2 work distributions convergence plot
RUN3227 PET-UNK-29afea89-2_1 molecule DAR-DIA-0f2f46c9-3_2 molecule −4.2 ± 0.2 work distributions convergence plot
RUN242 PET-UNK-29afea89-2_1 molecule LON-WEI-4d77710c-50_1 molecule −4.2 ± 0.2 work distributions convergence plot
RUN1162 PET-UNK-29afea89-2_1 molecule JOH-UNI-f51e3bbc-2_2 molecule −4.1 ± 0.3 work distributions convergence plot
RUN9 PET-UNK-29afea89-2_1 molecule NIR-THE-ed286faa-2_1 molecule −4.1 ± 0.3 work distributions convergence plot
RUN215 PET-UNK-29afea89-2_1 molecule LON-WEI-4d77710c-33_2 molecule −4.1 ± 0.3 work distributions convergence plot
RUN194 PET-UNK-29afea89-2_1 molecule LON-WEI-4d77710c-4_1 molecule −4.0 ± 0.2 work distributions convergence plot
RUN3737 PET-UNK-29afea89-2_1 molecule KAD-UNI-877d7bed-8_2 molecule −4.0 ± 0.2 work distributions convergence plot
RUN2743 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-31_4 molecule −4.0 ± 0.2 work distributions convergence plot
RUN3587 PET-UNK-29afea89-2_1 molecule MAT-POS-932d1078-1_2 molecule −3.9 ± 0.2 work distributions convergence plot
RUN154 PET-UNK-29afea89-2_1 molecule MIC-UNK-d36ab305-2_1 molecule −3.9 ± 0.2 work distributions convergence plot
RUN480 PET-UNK-29afea89-2_1 molecule MIC-UNK-91acba05-6_3 molecule −3.9 ± 0.3 work distributions convergence plot
RUN3484 PET-UNK-29afea89-2_1 molecule MAT-POS-a13804f0-3_1 molecule −3.9 ± 0.2 work distributions convergence plot
RUN653 PET-UNK-29afea89-2_1 molecule EDJ-MED-28ec730d-4_1 molecule −3.9 ± 0.3 work distributions convergence plot
RUN243 PET-UNK-29afea89-2_1 molecule LON-WEI-4d77710c-53_1 molecule −3.9 ± 0.2 work distributions convergence plot
RUN716 PET-UNK-29afea89-2_1 molecule MAK-UNK-ffc90da7-9_5 molecule −3.9 ± 0.5 work distributions convergence plot
RUN99 PET-UNK-29afea89-2_1 molecule MAT-POS-2492181e-3_1 molecule −3.9 ± 0.2 work distributions convergence plot
RUN814 PET-UNK-29afea89-2_1 molecule DAR-DIA-0d514e7d-10_1 molecule −3.9 ± 0.2 work distributions convergence plot
RUN56 PET-UNK-29afea89-2_1 molecule MAT-POS-af71705c-2_1 molecule −3.9 ± 0.2 work distributions convergence plot
RUN396 PET-UNK-29afea89-2_1 molecule VLA-UCB-50c39ae8-9_2 molecule −3.8 ± 0.5 work distributions convergence plot
RUN281 PET-UNK-29afea89-2_1 molecule MAT-POS-11b63608-1_1 molecule −3.8 ± 0.5 work distributions convergence plot
RUN509 PET-UNK-29afea89-2_1 molecule MAK-UNK-8be7dca9-8_2 molecule −3.8 ± 0.5 work distributions convergence plot
RUN2164 PET-UNK-29afea89-2_1 molecule ALP-UNI-76695c4f-2_1 molecule −3.8 ± 0.3 work distributions convergence plot
RUN2664 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-13_3 molecule −3.7 ± 0.4 work distributions convergence plot
RUN701 PET-UNK-29afea89-2_1 molecule MAK-UNK-ffc90da7-5_2 molecule −3.7 ± 0.2 work distributions convergence plot
RUN1640 PET-UNK-29afea89-2_1 molecule EDG-MED-4c68219f-1_4 molecule −3.7 ± 0.2 work distributions convergence plot
RUN185 PET-UNK-29afea89-2_1 molecule MAT-POS-f7918075-2_1 molecule −3.7 ± 0.2 work distributions convergence plot
RUN2790 PET-UNK-29afea89-2_1 molecule ALP-UNI-dbbfd3db-18_1 molecule −3.6 ± 0.2 work distributions convergence plot
RUN1431 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-13_7 molecule −3.6 ± 0.2 work distributions convergence plot
RUN2800 PET-UNK-29afea89-2_1 molecule EDJ-MED-ee07cf00-1_1 molecule −3.6 ± 0.2 work distributions convergence plot
RUN3490 PET-UNK-29afea89-2_1 molecule MAT-POS-a13804f0-4_1 molecule −3.6 ± 0.2 work distributions convergence plot
RUN2877 PET-UNK-29afea89-2_1 molecule DAR-DIA-ecdbc7dd-2_1 molecule −3.6 ± 0.2 work distributions convergence plot
RUN495 PET-UNK-29afea89-2_1 molecule MAK-UNK-8be7dca9-3_1 molecule −3.5 ± 0.3 work distributions convergence plot
RUN3404 PET-UNK-29afea89-2_1 molecule DAR-DIA-f6ee7aeb-2_3 molecule −3.5 ± 0.4 work distributions convergence plot
RUN441 PET-UNK-29afea89-2_1 molecule RAL-THA-1d44ff04-7_1 molecule −3.5 ± 0.4 work distributions convergence plot
RUN93 PET-UNK-29afea89-2_1 molecule MAT-POS-b5746674-108_3 molecule −3.5 ± 0.3 work distributions convergence plot
RUN2482 PET-UNK-29afea89-2_1 molecule JOH-UNI-ea72002d-1_2 molecule −3.5 ± 0.3 work distributions convergence plot
RUN2647 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-9_2 molecule −3.5 ± 0.4 work distributions convergence plot
RUN3017 PET-UNK-29afea89-2_1 molecule ALP-UNI-8e43a71e-15_31 molecule −3.4 ± 0.1 work distributions convergence plot
RUN1087 PET-UNK-29afea89-2_1 molecule MAK-UNK-c749d764-33_8 molecule −3.4 ± 0.2 work distributions convergence plot
Last updated 2021-06-04T18:13:56.580002+00:00
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