Transformations

Showing 1 through 100 of 686
RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distribution Convergence
RUN196 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-18_2 molecule −4.8 ± 0.2 work distributions convergence plot
RUN197 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-20_2 molecule −4.5 ± 0.1 work distributions convergence plot
RUN109 ADA-UCB-6c2cb422-1_1 molecule BAR-COM-0f94fc3d-24_1 molecule −3.10 ± 0.09 work distributions convergence plot
RUN343 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-97c1bf5c-2_1 molecule −2.9 ± 0.1 work distributions convergence plot
RUN473 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-10_1 molecule −2.9 ± 0.1 work distributions convergence plot
RUN310 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-7_1 molecule −2.8 ± 0.1 work distributions convergence plot
RUN33 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-15_1 molecule −2.81 ± 0.09 work distributions convergence plot
RUN50 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-8_1 molecule −2.8 ± 0.1 work distributions convergence plot
RUN64 ADA-UCB-6c2cb422-1_1 molecule EDG-MED-0da5ad92-1_1 molecule −2.77 ± 0.10 work distributions convergence plot
RUN347 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-3_1 molecule −2.76 ± 0.09 work distributions convergence plot
RUN445 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-67d4a29a-1_1 molecule −2.7 ± 0.1 work distributions convergence plot
RUN307 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-8_1 molecule −2.6 ± 0.1 work distributions convergence plot
RUN266 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-bb423b95-8_1 molecule −2.55 ± 0.07 work distributions convergence plot
RUN509 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-7_2 molecule −2.5 ± 0.1 work distributions convergence plot
RUN720 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-22_1 molecule −2.5 ± 0.2 work distributions convergence plot
RUN56 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-1_1 molecule −2.32 ± 0.08 work distributions convergence plot
RUN62 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-2_1 molecule −2.3 ± 0.1 work distributions convergence plot
RUN450 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-67d4a29a-4_1 molecule −2.2 ± 0.1 work distributions convergence plot
RUN159 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-17_1 molecule −2.21 ± 0.09 work distributions convergence plot
RUN217 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-c66144cb-3_2 molecule −2.2 ± 0.2 work distributions convergence plot
RUN199 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-3b848b35-4_2 molecule −2.2 ± 0.2 work distributions convergence plot
RUN69 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-9f475305-3_2 molecule −2.1 ± 0.1 work distributions convergence plot
RUN733 ADA-UCB-6c2cb422-1_1 molecule BEN-DND-1e24cf73-4_1 molecule −2.1 ± 0.1 work distributions convergence plot
RUN691 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-076d6e64-1_1 molecule −2.12 ± 0.08 work distributions convergence plot
RUN585 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-6_4 molecule −2.1 ± 0.1 work distributions convergence plot
RUN587 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-10_2 molecule −2.1 ± 0.2 work distributions convergence plot
RUN248 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-c66144cb-1_2 molecule −2.0 ± 0.1 work distributions convergence plot
RUN718 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-5_1 molecule −2.0 ± 0.2 work distributions convergence plot
RUN68 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-4_1 molecule −2.0 ± 0.1 work distributions convergence plot
RUN66 ADA-UCB-6c2cb422-1_1 molecule BAR-COM-ebf5acce-11_1 molecule −1.9 ± 0.2 work distributions convergence plot
RUN544 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-3fc3434e-7_2 molecule −1.9 ± 0.2 work distributions convergence plot
RUN536 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-ee5ed7c8-7_2 molecule −1.9 ± 0.2 work distributions convergence plot
RUN527 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-12d8d43f-2_1 molecule −1.8 ± 0.1 work distributions convergence plot
RUN616 ADA-UCB-6c2cb422-1_1 molecule JIN-POS-6dc588a4-16_1 molecule −1.78 ± 0.09 work distributions convergence plot
RUN384 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-4_5 molecule −1.8 ± 0.3 work distributions convergence plot
RUN464 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-c749d764-6_4 molecule −1.7 ± 0.2 work distributions convergence plot
RUN201 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-19_2 molecule −1.7 ± 0.2 work distributions convergence plot
RUN535 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-ee5ed7c8-7_1 molecule −1.7 ± 0.1 work distributions convergence plot
RUN516 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-7_4 molecule −1.7 ± 0.1 work distributions convergence plot
RUN701 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-6_1 molecule −1.6 ± 0.2 work distributions convergence plot
RUN584 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-6_1 molecule −1.6 ± 0.2 work distributions convergence plot
RUN327 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-5ecb6237-1_1 molecule −1.57 ± 0.09 work distributions convergence plot
RUN678 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-5_2 molecule −1.6 ± 0.1 work distributions convergence plot
RUN479 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-10_2 molecule −1.6 ± 0.1 work distributions convergence plot
RUN731 ADA-UCB-6c2cb422-1_1 molecule BEN-DND-1e24cf73-2_1 molecule −1.5 ± 0.1 work distributions convergence plot
RUN195 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-50fe53e8-1_1 molecule −1.53 ± 0.08 work distributions convergence plot
RUN671 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-cf4b0d25-1_1 molecule −1.5 ± 0.2 work distributions convergence plot
RUN465 ADA-UCB-6c2cb422-1_1 molecule DAR-DIA-076fb6ea-6_1 molecule −1.52 ± 0.09 work distributions convergence plot
RUN400 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-4_2 molecule −1.5 ± 0.4 work distributions convergence plot
RUN244 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-c66144cb-2_2 molecule −1.5 ± 0.1 work distributions convergence plot
RUN76 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-9f475305-3_1 molecule −1.5 ± 0.1 work distributions convergence plot
RUN680 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-6314f867-2_1 molecule −1.47 ± 0.08 work distributions convergence plot
RUN549 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-3fc3434e-6_2 molecule −1.5 ± 0.1 work distributions convergence plot
RUN590 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-17_1 molecule −1.4 ± 0.2 work distributions convergence plot
RUN723 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-b38839dc-2_1 molecule −1.41 ± 0.10 work distributions convergence plot
RUN261 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-f7918075-7_1 molecule −1.37 ± 0.09 work distributions convergence plot
RUN443 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-12_3 molecule −1.4 ± 0.2 work distributions convergence plot
RUN586 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-17_2 molecule −1.3 ± 0.2 work distributions convergence plot
RUN257 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-bb423b95-1_1 molecule −1.31 ± 0.08 work distributions convergence plot
RUN532 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-ee5ed7c8-6_2 molecule −1.3 ± 0.1 work distributions convergence plot
RUN647 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-14_1 molecule −1.28 ± 0.09 work distributions convergence plot
RUN497 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-a38a7bdd-7_3 molecule −1.3 ± 0.1 work distributions convergence plot
RUN55 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-9_1 molecule −1.27 ± 0.09 work distributions convergence plot
RUN581 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-10_1 molecule −1.2 ± 0.2 work distributions convergence plot
RUN174 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-3fc1724e-8_2 molecule −1.2 ± 0.2 work distributions convergence plot
RUN95 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-9f475305-8_2 molecule −1.2 ± 0.2 work distributions convergence plot
RUN315 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-199e2e7c-2_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 ± 0.1 work distributions convergence plot
RUN63 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-5_1 molecule −1.1 ± 0.1 work distributions convergence plot
RUN591 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-12_1 molecule −1.1 ± 0.2 work distributions convergence plot
RUN19 ADA-UCB-6c2cb422-1_1 molecule ADA-UNI-f8e79267-7_1 molecule −1.1 ± 0.2 work distributions convergence plot
RUN699 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-158bee2a-4_1 molecule −1.07 ± 0.10 work distributions convergence plot
RUN162 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-14_1 molecule −1.1 ± 0.1 work distributions convergence plot
RUN452 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-c749d764-22_6 molecule −1.1 ± 0.3 work distributions convergence plot
RUN649 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-20_1 molecule −1.1 ± 0.1 work distributions convergence plot
RUN567 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-16_1 molecule −1.1 ± 0.2 work distributions convergence plot
RUN340 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-d935700b-1_1 molecule −1.1 ± 0.1 work distributions convergence plot
RUN444 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-12_5 molecule −1.1 ± 0.2 work distributions convergence plot
RUN4 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-714a760b-15_1 molecule −1.04 ± 0.08 work distributions convergence plot
RUN713 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-2_1 molecule −1.0 ± 0.2 work distributions convergence plot
RUN22 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-7_1 molecule −1.0 ± 0.1 work distributions convergence plot
RUN411 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-ffc90da7-6_2 molecule −1.0 ± 0.1 work distributions convergence plot
RUN541 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-3fc3434e-7_1 molecule −1.0 ± 0.1 work distributions convergence plot
RUN207 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-20_1 molecule −1.0 ± 0.1 work distributions convergence plot
RUN448 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-67d4a29a-3_1 molecule −1.0 ± 0.2 work distributions convergence plot
RUN42 ADA-UCB-6c2cb422-1_1 molecule ALP-POS-95b75b4d-6_1 molecule −0.95 ± 0.10 work distributions convergence plot
RUN45 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-5a013bed-3_1 molecule −0.9 ± 0.1 work distributions convergence plot
RUN578 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-6_3 molecule −0.9 ± 0.2 work distributions convergence plot
RUN706 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-1320d94d-7_1 molecule −0.9 ± 0.2 work distributions convergence plot
RUN576 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-8_1 molecule −0.9 ± 0.2 work distributions convergence plot
RUN77 ADA-UCB-6c2cb422-1_1 molecule EDG-MED-0da5ad92-14_1 molecule −0.9 ± 0.1 work distributions convergence plot
RUN8 ADA-UCB-6c2cb422-1_1 molecule ADA-UNI-f8e79267-7_2 molecule −0.9 ± 0.2 work distributions convergence plot
RUN588 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-ee07cf00-18_1 molecule −0.8 ± 0.2 work distributions convergence plot
RUN478 ADA-UCB-6c2cb422-1_1 molecule MAK-UNK-c749d764-22_8 molecule −0.8 ± 0.2 work distributions convergence plot
RUN668 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-f92d7c0c-2_1 molecule −0.8 ± 0.1 work distributions convergence plot
RUN459 ADA-UCB-6c2cb422-1_1 molecule JOH-UNI-6fede743-5_1 molecule −0.8 ± 0.1 work distributions convergence plot
RUN296 ADA-UCB-6c2cb422-1_1 molecule EDJ-MED-c8e7a002-1_1 molecule −0.7 ± 0.1 work distributions convergence plot
RUN643 ADA-UCB-6c2cb422-1_1 molecule RUB-POS-1325a9ea-8_1 molecule −0.70 ± 0.09 work distributions convergence plot
RUN263 ADA-UCB-6c2cb422-1_1 molecule MAT-POS-f7918075-4_1 molecule −0.70 ± 0.08 work distributions convergence plot
RUN566 ADA-UCB-6c2cb422-1_1 molecule VLA-UNK-9a7dc93f-7_1 molecule −0.68 ± 0.09 work distributions convergence plot
Last updated 2021-06-29T01:47:09.547099+00:00
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