Transformations

Showing 1 through 100 of 7103
RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distribution Convergence
RUN2122 MAT-POS-b3e365b9-1_1 molecule VLA-UNK-83c3754c-1_1 molecule −7.0 ± 0.2 work distributions convergence plot
RUN200 MAT-POS-b3e365b9-1_1 molecule MIC-UNK-9582b2c5-1_6 molecule −6.9 ± 0.2 work distributions convergence plot
RUN491 MAT-POS-b3e365b9-1_1 molecule ADA-UCB-dc2b944c-1_1 molecule −6.9 ± 0.4 work distributions convergence plot
RUN546 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-34f3ed0c-18_1 molecule −6.5 ± 0.3 work distributions convergence plot
RUN539 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-34f3ed0c-11_1 molecule −6.5 ± 0.2 work distributions convergence plot
RUN274 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-50c39ae8-2_1 molecule −6.4 ± 0.2 work distributions convergence plot
RUN2706 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-50c39ae8-9_1_1 molecule −6.4 ± 0.4 work distributions convergence plot
RUN464 MAT-POS-b3e365b9-1_1 molecule ADA-UCB-dc2b944c-1_2 molecule −6.4 ± 0.3 work distributions convergence plot
RUN1014 MAT-POS-b3e365b9-1_1 molecule BEN-BAS-c2bc0d80-6_1 molecule −6.2 ± 0.2 work distributions convergence plot
RUN544 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-34f3ed0c-16_1 molecule −6.2 ± 0.3 work distributions convergence plot
RUN277 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-50c39ae8-3_1 molecule −5.8 ± 0.2 work distributions convergence plot
RUN2712 MAT-POS-b3e365b9-1_1 molecule EN300-202106_1_1_1 molecule −5.8 ± 0.2 work distributions convergence plot
RUN2133 MAT-POS-b3e365b9-1_1 molecule VLA-UNK-83c3754c-2_1 molecule −5.5 ± 0.2 work distributions convergence plot
RUN6629 MAT-POS-b3e365b9-1_1 molecule EN300-125143_2_1_1 molecule −5.5 ± 0.3 work distributions convergence plot
RUN3208 MAT-POS-b3e365b9-1_1 molecule EN300-1932780_3_1_1 molecule −5.4 ± 0.2 work distributions convergence plot
RUN93 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-1dbca3b4-18_1 molecule −5.3 ± 0.3 work distributions convergence plot
RUN7095 MAT-POS-b3e365b9-1_1 molecule EN300-1709410_2_3_1 molecule −5.3 ± 0.3 work distributions convergence plot
RUN395 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5d6f1b43-10_1 molecule −5.3 ± 0.2 work distributions convergence plot
RUN2426 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-6864a934-3_1 molecule −5.1 ± 0.2 work distributions convergence plot
RUN174 MAT-POS-b3e365b9-1_1 molecule PET-UNK-431b3bfb-1_1 molecule −5.1 ± 0.2 work distributions convergence plot
RUN2744 MAT-POS-b3e365b9-1_1 molecule EN300-106352_2_1_1 molecule −5.1 ± 0.4 work distributions convergence plot
RUN5510 MAT-POS-b3e365b9-1_1 molecule EN300-1273202_1_1_1 molecule −5.0 ± 0.3 work distributions convergence plot
RUN1500 MAT-POS-b3e365b9-1_1 molecule ED_-GRI-5b13fbe2-66_3 molecule −5.0 ± 0.2 work distributions convergence plot
RUN2714 MAT-POS-b3e365b9-1_1 molecule EN300-719522_1_1_1 molecule −5.0 ± 0.2 work distributions convergence plot
RUN205 MAT-POS-b3e365b9-1_1 molecule ALP-POS-477dc5b7-4_1 molecule −5.0 ± 0.3 work distributions convergence plot
RUN2721 MAT-POS-b3e365b9-1_1 molecule EN300-110423_1_1_1 molecule −5.0 ± 0.2 work distributions convergence plot
RUN3995 MAT-POS-b3e365b9-1_1 molecule EN300-211158_1_1_1 molecule −5.0 ± 0.3 work distributions convergence plot
RUN2700 MAT-POS-b3e365b9-1_1 molecule EN300-7437779_1_1_1 molecule −4.9 ± 0.2 work distributions convergence plot
RUN1024 MAT-POS-b3e365b9-1_1 molecule BEN-BAS-5c03e89e-2_4 molecule −4.9 ± 0.2 work distributions convergence plot
RUN3267 MAT-POS-b3e365b9-1_1 molecule EN300-92031_3_1_2 molecule −4.9 ± 0.6 work distributions convergence plot
RUN554 MAT-POS-b3e365b9-1_1 molecule MIC-UNK-50cce87d-8_2 molecule −4.9 ± 0.3 work distributions convergence plot
RUN432 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-50c39ae8-9_1 molecule −4.9 ± 0.4 work distributions convergence plot
RUN526 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-34f3ed0c-17_1 molecule −4.9 ± 0.3 work distributions convergence plot
RUN39 MAT-POS-b3e365b9-1_1 molecule PET-UNK-7be94445-1_1 molecule −4.8 ± 0.2 work distributions convergence plot
RUN6726 MAT-POS-b3e365b9-1_1 molecule EN300-6482967_4_1_1 molecule −4.8 ± 0.4 work distributions convergence plot
RUN3010 MAT-POS-b3e365b9-1_1 molecule EN300-116313_1_1_1 molecule −4.8 ± 0.2 work distributions convergence plot
RUN2126 MAT-POS-b3e365b9-1_1 molecule ALP-POS-e0fe77e5-1_1 molecule −4.8 ± 0.2 work distributions convergence plot
RUN531 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-34f3ed0c-12_1 molecule −4.7 ± 0.2 work distributions convergence plot
RUN2908 MAT-POS-b3e365b9-1_1 molecule EN300-1681046_1_1_1 molecule −4.6 ± 0.2 work distributions convergence plot
RUN3055 MAT-POS-b3e365b9-1_1 molecule EN300-171522_1_1_1 molecule −4.6 ± 0.3 work distributions convergence plot
RUN4309 MAT-POS-b3e365b9-1_1 molecule EN300-30687_1_1_1 molecule −4.5 ± 0.3 work distributions convergence plot
RUN2730 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5ff57136-16_1_1 molecule −4.5 ± 0.1 work distributions convergence plot
RUN2447 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-6864a934-8_1 molecule −4.4 ± 0.2 work distributions convergence plot
RUN3657 MAT-POS-b3e365b9-1_1 molecule EN300-05798_1_1_1 molecule −4.4 ± 0.2 work distributions convergence plot
RUN5616 MAT-POS-b3e365b9-1_1 molecule EN300-86205_3_1_1 molecule −4.4 ± 0.3 work distributions convergence plot
RUN552 MAT-POS-b3e365b9-1_1 molecule MIC-UNK-50cce87d-5_1 molecule −4.4 ± 0.2 work distributions convergence plot
RUN1327 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-9e4459de-15_3 molecule −4.4 ± 0.2 work distributions convergence plot
RUN2422 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-6864a934-1_1 molecule −4.3 ± 0.2 work distributions convergence plot
RUN3762 MAT-POS-b3e365b9-1_1 molecule EN300-301925_1_2_1 molecule −4.3 ± 0.3 work distributions convergence plot
RUN592 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-34f3ed0c-1_1 molecule −4.3 ± 0.1 work distributions convergence plot
RUN2750 MAT-POS-b3e365b9-1_1 molecule EN300-36731_1_1_1 molecule −4.3 ± 0.2 work distributions convergence plot
RUN2705 MAT-POS-b3e365b9-1_1 molecule EN300-378044_1_1_1 molecule −4.3 ± 0.3 work distributions convergence plot
RUN48 MAT-POS-b3e365b9-1_1 molecule PET-UNK-3e354a91-1_1 molecule −4.3 ± 0.3 work distributions convergence plot
RUN74 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-1dbca3b4-10_2 molecule −4.3 ± 0.3 work distributions convergence plot
RUN2141 MAT-POS-b3e365b9-1_1 molecule ALP-POS-e0fe77e5-4_1 molecule −4.3 ± 0.2 work distributions convergence plot
RUN2740 MAT-POS-b3e365b9-1_1 molecule EN300-7549839_1_1_1 molecule −4.2 ± 0.3 work distributions convergence plot
RUN2320 MAT-POS-b3e365b9-1_1 molecule JOH-UNI-ea72002d-7_1 molecule −4.2 ± 0.2 work distributions convergence plot
RUN1259 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5ff57136-12_2 molecule −4.2 ± 0.2 work distributions convergence plot
RUN33 MAT-POS-b3e365b9-1_1 molecule PET-UNK-c9c1e0d8-3_2 molecule −4.2 ± 0.3 work distributions convergence plot
RUN1763 MAT-POS-b3e365b9-1_1 molecule ALP-UNI-3735e77e-1_1 molecule −4.2 ± 0.2 work distributions convergence plot
RUN2760 MAT-POS-b3e365b9-1_1 molecule EN300-186536_1_1_1 molecule −4.2 ± 0.3 work distributions convergence plot
RUN2794 MAT-POS-b3e365b9-1_1 molecule EN300-378373_1_1_1 molecule −4.2 ± 0.2 work distributions convergence plot
RUN2096 MAT-POS-b3e365b9-1_1 molecule VLA-UNK-56836b69-2_1 molecule −4.2 ± 0.2 work distributions convergence plot
RUN2765 MAT-POS-b3e365b9-1_1 molecule EN300-170985_1_1_1 molecule −4.1 ± 0.2 work distributions convergence plot
RUN3111 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-34f3ed0c-9_1_1 molecule −4.1 ± 0.2 work distributions convergence plot
RUN2775 MAT-POS-b3e365b9-1_1 molecule EN300-6497444_1_1_1 molecule −4.1 ± 0.3 work distributions convergence plot
RUN2455 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-6864a934-9_1 molecule −4.1 ± 0.3 work distributions convergence plot
RUN3127 MAT-POS-b3e365b9-1_1 molecule EN300-260816_3_2_1 molecule −4.1 ± 0.3 work distributions convergence plot
RUN3438 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5ff57136-17_1_1 molecule −4.1 ± 0.2 work distributions convergence plot
RUN2833 MAT-POS-b3e365b9-1_1 molecule EN300-1073320_1_1_1 molecule −4.1 ± 0.2 work distributions convergence plot
RUN1319 MAT-POS-b3e365b9-1_1 molecule PET-UNK-12d8d43f-1_1 molecule −4.1 ± 0.2 work distributions convergence plot
RUN1228 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5ff57136-16_1 molecule −4.1 ± 0.1 work distributions convergence plot
RUN2737 MAT-POS-b3e365b9-1_1 molecule EN300-1709101_1_1_1 molecule −4.0 ± 0.2 work distributions convergence plot
RUN3087 MAT-POS-b3e365b9-1_1 molecule EN300-658559_1_1_1 molecule −4.0 ± 0.3 work distributions convergence plot
RUN334 MAT-POS-b3e365b9-1_1 molecule PET-UNK-abc197b8-1_1 molecule −4.0 ± 0.3 work distributions convergence plot
RUN2738 MAT-POS-b3e365b9-1_1 molecule EN300-254908_1_1_1 molecule −4.0 ± 0.3 work distributions convergence plot
RUN2798 MAT-POS-b3e365b9-1_1 molecule EN300-6739934_1_1_1 molecule −4.0 ± 0.3 work distributions convergence plot
RUN2768 MAT-POS-b3e365b9-1_1 molecule EN300-3031933_1_2_1 molecule −4.0 ± 0.3 work distributions convergence plot
RUN4459 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-50c39ae8-9_2_1 molecule −4.0 ± 0.4 work distributions convergence plot
RUN1568 MAT-POS-b3e365b9-1_1 molecule EDG-MED-90036822-19_2 molecule −4.0 ± 0.2 work distributions convergence plot
RUN2829 MAT-POS-b3e365b9-1_1 molecule EN300-124555_1_1_1 molecule −3.9 ± 0.2 work distributions convergence plot
RUN2719 MAT-POS-b3e365b9-1_1 molecule EN300-222357_3_1_1 molecule −3.9 ± 0.3 work distributions convergence plot
RUN1321 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-9e4459de-15_4 molecule −3.9 ± 0.4 work distributions convergence plot
RUN1932 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-6be260fc-1_1 molecule −3.9 ± 0.3 work distributions convergence plot
RUN2763 MAT-POS-b3e365b9-1_1 molecule EN300-100689_1_1_1 molecule −3.9 ± 0.3 work distributions convergence plot
RUN597 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-34f3ed0c-9_1 molecule −3.9 ± 0.2 work distributions convergence plot
RUN2698 MAT-POS-b3e365b9-1_1 molecule EN300-1600312_1_1_1 molecule −3.9 ± 0.2 work distributions convergence plot
RUN4714 MAT-POS-b3e365b9-1_1 molecule EN300-6764836_1_4_1 molecule −3.9 ± 0.3 work distributions convergence plot
RUN2832 MAT-POS-b3e365b9-1_1 molecule EN300-1644723_1_5_1 molecule −3.9 ± 0.2 work distributions convergence plot
RUN2803 MAT-POS-b3e365b9-1_1 molecule EN300-7431629_1_2_1 molecule −3.9 ± 0.3 work distributions convergence plot
RUN77 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-1dbca3b4-13_1 molecule −3.9 ± 0.3 work distributions convergence plot
RUN2733 MAT-POS-b3e365b9-1_1 molecule EN300-748981_1_2_1 molecule −3.8 ± 0.3 work distributions convergence plot
RUN547 MAT-POS-b3e365b9-1_1 molecule MIC-UNK-50cce87d-9_1 molecule −3.8 ± 0.3 work distributions convergence plot
RUN1093 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-c749d764-29_2 molecule −3.8 ± 0.3 work distributions convergence plot
RUN2935 MAT-POS-b3e365b9-1_1 molecule EN300-128324_1_1_1 molecule −3.8 ± 0.3 work distributions convergence plot
RUN4559 MAT-POS-b3e365b9-1_1 molecule EN300-393341_1_1_1 molecule −3.8 ± 0.2 work distributions convergence plot
RUN2946 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5ff57136-12_2_1 molecule −3.8 ± 0.2 work distributions convergence plot
RUN2723 MAT-POS-b3e365b9-1_1 molecule EN300-6479181_1_4_1 molecule −3.8 ± 0.4 work distributions convergence plot
RUN2753 MAT-POS-b3e365b9-1_1 molecule EN300-243465_1_1_1 molecule −3.8 ± 0.2 work distributions convergence plot
RUN2877 MAT-POS-b3e365b9-1_1 molecule EN300-685077_1_1_1 molecule −3.7 ± 0.3 work distributions convergence plot
Last updated 2021-02-11T02:25:24.229849+00:00
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