Transformations

Showing 1 through 100 of 100
RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distribution Convergence
RUN92 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-9f475305-8_2 molecule −6.6 ± 0.3 work distributions convergence plot
RUN509 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-56cf811e-1_1 molecule −6.3 ± 0.2 work distributions convergence plot
RUN518 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-12d8d43f-2_1 molecule −5.4 ± 0.2 work distributions convergence plot
RUN87 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-9f475305-8_1 molecule −5.1 ± 0.2 work distributions convergence plot
RUN501 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-7_2 molecule −4.5 ± 0.2 work distributions convergence plot
RUN641 ADA-UCB-6c2cb422-1_1 molecule JIN-POS-6dc588a4-16_1 molecule −3.44 ± 0.10 work distributions convergence plot
RUN345 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-a692de38-1_1 molecule −3.1 ± 0.2 work distributions convergence plot
RUN52 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-2_1 molecule −2.9 ± 0.1 work distributions convergence plot
RUN515 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-7_4 molecule −2.8 ± 0.2 work distributions convergence plot
RUN310 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-13_1 molecule −2.7 ± 0.1 work distributions convergence plot
RUN513 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-7_3 molecule −2.7 ± 0.2 work distributions convergence plot
RUN743 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-29_1 molecule −2.7 ± 0.3 work distributions convergence plot
RUN311 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-17_1 molecule −2.64 ± 0.10 work distributions convergence plot
RUN194 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-3b848b35-4_2 molecule −2.5 ± 0.2 work distributions convergence plot
RUN145 ADA-UCB-6c2cb422-1_1 molecule SAM-UNK-2684b532-3_2 molecule −2.4 ± 0.1 work distributions convergence plot
RUN304 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-7_1 molecule −2.3 ± 0.1 work distributions convergence plot
RUN244 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-d36ab305-4_2 molecule −2.2 ± 0.2 work distributions convergence plot
RUN248 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-c66144cb-1_2 molecule −2.1 ± 0.2 work distributions convergence plot
RUN595 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-11_7 molecule −2.1 ± 0.2 work distributions convergence plot
RUN221 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-c66144cb-3_2 molecule −2.1 ± 0.2 work distributions convergence plot
RUN625 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-3_2 molecule −2.1 ± 0.2 work distributions convergence plot
RUN461 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-5_1 molecule −2.1 ± 0.5 work distributions convergence plot
RUN510 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-12d8d43f-1_1 molecule −2.0 ± 0.1 work distributions convergence plot
RUN439 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-12_7 molecule −2.0 ± 0.1 work distributions convergence plot
RUN757 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-ac320b15-7_1 molecule −1.9 ± 0.2 work distributions convergence plot
RUN602 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-17_1 molecule −1.9 ± 0.3 work distributions convergence plot
RUN435 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-12_1 molecule −1.8 ± 0.2 work distributions convergence plot
RUN582 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-10_1 molecule −1.8 ± 0.2 work distributions convergence plot
RUN779 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-8293a91a-6_1 molecule −1.8 ± 0.2 work distributions convergence plot
RUN278 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-bfb445d4-2_1 molecule −1.8 ± 0.1 work distributions convergence plot
RUN201 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-18_2 molecule −1.8 ± 0.2 work distributions convergence plot
RUN202 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-20_2 molecule −1.8 ± 0.2 work distributions convergence plot
RUN322 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-5ecb6237-1_1 molecule −1.8 ± 0.1 work distributions convergence plot
RUN620 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-a13804f0-4_1 molecule −1.8 ± 0.2 work distributions convergence plot
RUN64 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-9f475305-3_2 molecule −1.7 ± 0.1 work distributions convergence plot
RUN578 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-9_2 molecule −1.7 ± 0.2 work distributions convergence plot
RUN20 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-7_1 molecule −1.7 ± 0.2 work distributions convergence plot
RUN483 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-15_1 molecule −1.7 ± 0.2 work distributions convergence plot
RUN49 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-9_1 molecule −1.7 ± 0.1 work distributions convergence plot
RUN674 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-18_1 molecule −1.65 ± 0.04 work distributions convergence plot
RUN716 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-5_2 molecule −1.6 ± 0.2 work distributions convergence plot
RUN593 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-16_1 molecule −1.6 ± 0.2 work distributions convergence plot
RUN610 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-12_1 molecule −1.6 ± 0.2 work distributions convergence plot
RUN733 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-5_1 molecule −1.6 ± 0.2 work distributions convergence plot
RUN353 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_2 molecule −1.6 ± 0.2 work distributions convergence plot
RUN245 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-c66144cb-2_2 molecule −1.6 ± 0.2 work distributions convergence plot
RUN482 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-c749d764-6_4 molecule −1.6 ± 0.2 work distributions convergence plot
RUN756 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-ac320b15-5_1 molecule −1.6 ± 0.2 work distributions convergence plot
RUN711 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-b1ef24dc-1_1 molecule −1.6 ± 0.1 work distributions convergence plot
RUN737 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-9_1 molecule −1.6 ± 0.2 work distributions convergence plot
RUN586 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-11_1 molecule −1.6 ± 0.2 work distributions convergence plot
RUN728 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-7_1 molecule −1.6 ± 0.2 work distributions convergence plot
RUN569 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-3_2 molecule −1.6 ± 0.2 work distributions convergence plot
RUN599 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-15_1 molecule −1.6 ± 0.2 work distributions convergence plot
RUN66 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-4_1 molecule −1.6 ± 0.1 work distributions convergence plot
RUN684 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-dc1d9354-1_1 molecule −1.5 ± 0.2 work distributions convergence plot
RUN581 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-9a7dc93f-7_1 molecule −1.51 ± 0.04 work distributions convergence plot
RUN590 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-11_3 molecule −1.5 ± 0.2 work distributions convergence plot
RUN574 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-8_1 molecule −1.5 ± 0.2 work distributions convergence plot
RUN702 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-6314f867-3_1 molecule −1.4 ± 0.1 work distributions convergence plot
RUN713 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-076d6e64-1_1 molecule −1.4 ± 0.1 work distributions convergence plot
RUN732 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-21_1 molecule −1.4 ± 0.2 work distributions convergence plot
RUN158 ADA-UCB-6c2cb422-1_1 molecule ADA-UCB-6c2cb422-11_1 molecule −1.4 ± 0.2 work distributions convergence plot
RUN393 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-4_6 molecule −1.3 ± 0.2 work distributions convergence plot
RUN798 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-7174c657-6_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN524 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-56cf811e-4_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN584 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-6_3 molecule −1.3 ± 0.2 work distributions convergence plot
RUN575 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-7_2 molecule −1.3 ± 0.2 work distributions convergence plot
RUN750 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-24_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN627 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-3_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN770 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-8293a91a-7_1 molecule −1.2 ± 0.2 work distributions convergence plot
RUN301 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-8_1 molecule −1.2 ± 0.1 work distributions convergence plot
RUN240 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-d36ab305-1_1 molecule −1.2 ± 0.2 work distributions convergence plot
RUN39 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-95b75b4d-6_1 molecule −1.2 ± 0.1 work distributions convergence plot
RUN705 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-1_2 molecule −1.2 ± 0.2 work distributions convergence plot
RUN454 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-c749d764-22_6 molecule −1.2 ± 0.2 work distributions convergence plot
RUN566 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-1_2 molecule −1.2 ± 0.2 work distributions convergence plot
RUN703 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-1_1 molecule −1.2 ± 0.2 work distributions convergence plot
RUN745 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-26_1 molecule −1.1 ± 0.2 work distributions convergence plot
RUN608 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-18_2 molecule −1.1 ± 0.2 work distributions convergence plot
RUN723 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-a9ad2217-2_1 molecule −1.1 ± 0.2 work distributions convergence plot
RUN612 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-4_4 molecule −1.1 ± 0.2 work distributions convergence plot
RUN405 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-4_8 molecule −1.1 ± 0.2 work distributions convergence plot
RUN443 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-12_3 molecule −1.1 ± 0.2 work distributions convergence plot
RUN747 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-25_1 molecule −1.1 ± 0.2 work distributions convergence plot
RUN648 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-2_1 molecule −1.1 ± 0.4 work distributions convergence plot
RUN617 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-a13804f0-1_3 molecule −1.0 ± 0.2 work distributions convergence plot
RUN335 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-97c1bf5c-2_1 molecule −1.0 ± 0.1 work distributions convergence plot
RUN535 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-ee5ed7c8-6_2 molecule −1.0 ± 0.1 work distributions convergence plot
RUN567 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-2_2 molecule −1.0 ± 0.2 work distributions convergence plot
RUN606 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-18_1 molecule −1.0 ± 0.2 work distributions convergence plot
RUN159 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-17_1 molecule −1.0 ± 0.1 work distributions convergence plot
RUN685 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-411a133b-1_1 molecule −1.0 ± 0.1 work distributions convergence plot
RUN171 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-3fc1724e-8_2 molecule −1.0 ± 0.3 work distributions convergence plot
RUN474 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-c749d764-22_8 molecule −1.0 ± 0.2 work distributions convergence plot
RUN262 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-bb423b95-8_1 molecule −0.9 ± 0.1 work distributions convergence plot
RUN741 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-6_1 molecule −0.9 ± 0.2 work distributions convergence plot
RUN547 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-3fc3434e-6_2 molecule −0.9 ± 0.1 work distributions convergence plot
RUN672 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-17_1 molecule −0.93 ± 0.03 work distributions convergence plot
RUN607 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-5_1 molecule −0.9 ± 0.2 work distributions convergence plot
Last updated 2021-11-12T06:17:11.317694+00:00
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