Transformations

Showing 1 through 99 of 99
RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distribution Convergence
RUN95 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5ff57136-12_2 molecule −2.9 ± 0.2 work distributions convergence plot
RUN0 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-34f3ed0c-21_2 molecule −2.8 ± 0.4 work distributions convergence plot
RUN92 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5ff57136-13_1 molecule −2.7 ± 0.1 work distributions convergence plot
RUN31 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-28ec730d-5_1 molecule −2.6 ± 0.2 work distributions convergence plot
RUN76 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-34f3ed0c-8_1 molecule −2.6 ± 0.2 work distributions convergence plot
RUN72 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-34f3ed0c-9_1 molecule −2.6 ± 0.3 work distributions convergence plot
RUN42 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-8be7dca9-6_1 molecule −2.27 ± 0.09 work distributions convergence plot
RUN49 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-3875bbc8-2_1 molecule −2.21 ± 0.07 work distributions convergence plot
RUN69 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-5ff57136-17_1 molecule −2.2 ± 0.2 work distributions convergence plot
RUN41 MAT-POS-b3e365b9-1_1 molecule NAU-LAT-b7d8c353-8_1 molecule −2.17 ± 0.09 work distributions convergence plot
RUN70 MAT-POS-b3e365b9-1_1 molecule JOH-SUS-a69c159d-6_1 molecule −2.13 ± 0.05 work distributions convergence plot
RUN27 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-34f3ed0c-21_1 molecule −2.1 ± 0.3 work distributions convergence plot
RUN71 MAT-POS-b3e365b9-1_1 molecule JOH-SUS-a69c159d-7_1 molecule −2.08 ± 0.05 work distributions convergence plot
RUN7 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-6_1 molecule −1.7 ± 0.1 work distributions convergence plot
RUN77 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-28ec730d-2_1 molecule −1.6 ± 0.2 work distributions convergence plot
RUN93 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-0d514e7d-4_1 molecule −1.6 ± 0.2 work distributions convergence plot
RUN94 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-50c39ae8-1_1 molecule −1.5 ± 0.2 work distributions convergence plot
RUN14 MAT-POS-b3e365b9-1_1 molecule BEN-BAS-5c03e89e-1_2 molecule −1.5 ± 0.1 work distributions convergence plot
RUN6 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-0d514e7d-28_1 molecule −1.37 ± 0.09 work distributions convergence plot
RUN2 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-8be7dca9-1_1 molecule −1.3 ± 0.1 work distributions convergence plot
RUN65 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-28ec730d-4_1 molecule −1.3 ± 0.2 work distributions convergence plot
RUN34 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-83e0a0b4-2_1 molecule −1.3 ± 0.3 work distributions convergence plot
RUN32 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-3875bbc8-1_1 molecule −1.20 ± 0.09 work distributions convergence plot
RUN40 MAT-POS-b3e365b9-1_1 molecule PET-UNK-29afea89-1_1 molecule −1.1 ± 0.1 work distributions convergence plot
RUN52 MAT-POS-b3e365b9-1_1 molecule JOH-SUS-a69c159d-5_1 molecule −1.07 ± 0.03 work distributions convergence plot
RUN43 MAT-POS-b3e365b9-1_1 molecule ADA-UCB-dc2b944c-16_1 molecule −0.99 ± 0.10 work distributions convergence plot
RUN50 MAT-POS-b3e365b9-1_1 molecule JOH-SUS-a69c159d-2_1 molecule −0.98 ± 0.03 work distributions convergence plot
RUN19 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-8be7dca9-5_1 molecule −0.96 ± 0.08 work distributions convergence plot
RUN23 MAT-POS-b3e365b9-1_1 molecule ALP-POS-d3acb8cc-1_1 molecule −0.94 ± 0.08 work distributions convergence plot
RUN9 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-6a508060-10_2 molecule −0.92 ± 0.10 work distributions convergence plot
RUN75 MAT-POS-b3e365b9-1_1 molecule JOH-UNI-f51e3bbc-4_1 molecule −0.9 ± 0.1 work distributions convergence plot
RUN56 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-8be7dca9-4_1 molecule −0.90 ± 0.08 work distributions convergence plot
RUN13 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-4_2 molecule −0.89 ± 0.05 work distributions convergence plot
RUN22 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-3_1 molecule −0.85 ± 0.09 work distributions convergence plot
RUN18 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-0d514e7d-8_1 molecule −0.85 ± 0.07 work distributions convergence plot
RUN21 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-1_4 molecule −0.83 ± 0.09 work distributions convergence plot
RUN73 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-0d514e7d-25_1 molecule −0.8 ± 0.1 work distributions convergence plot
RUN1 MAT-POS-b3e365b9-1_1 molecule JAG-UCB-706446eb-4_1 molecule −0.8 ± 0.2 work distributions convergence plot
RUN12 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-11_1 molecule −0.81 ± 0.06 work distributions convergence plot
RUN96 MAT-POS-b3e365b9-1_1 molecule ALP-POS-477dc5b7-3_1 molecule −0.8 ± 0.2 work distributions convergence plot
RUN8 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-13_1 molecule −0.68 ± 0.09 work distributions convergence plot
RUN29 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-8be7dca9-7_1 molecule −0.65 ± 0.08 work distributions convergence plot
RUN97 MAT-POS-b3e365b9-1_1 molecule BEN-BAS-5c03e89e-1_1 molecule −0.6 ± 0.2 work distributions convergence plot
RUN79 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-0d514e7d-1_1 molecule −0.5 ± 0.1 work distributions convergence plot
RUN33 MAT-POS-b3e365b9-1_1 molecule BEN-DND-c852c98b-4_1 molecule −0.53 ± 0.04 work distributions convergence plot
RUN81 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-23e5a6a0-2_1 molecule −0.5 ± 0.4 work distributions convergence plot
RUN25 MAT-POS-b3e365b9-1_1 molecule BEN-DND-c852c98b-1_1 molecule −0.47 ± 0.04 work distributions convergence plot
RUN55 MAT-POS-b3e365b9-1_1 molecule PET-UNK-29afea89-2_1 molecule −0.5 ± 0.1 work distributions convergence plot
RUN26 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-6a508060-3_1 molecule −0.39 ± 0.06 work distributions convergence plot
RUN20 MAT-POS-b3e365b9-1_1 molecule ALP-POS-696356e4-1_1 molecule −0.16 ± 0.03 work distributions convergence plot
RUN53 MAT-POS-b3e365b9-1_1 molecule BEN-DND-c852c98b-6_1 molecule −0.15 ± 0.06 work distributions convergence plot
RUN37 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-1_3 molecule −0.15 ± 0.04 work distributions convergence plot
RUN36 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-2_1 molecule −0.15 ± 0.04 work distributions convergence plot
RUN54 MAT-POS-b3e365b9-1_1 molecule BEN-DND-c852c98b-5_1 molecule −0.13 ± 0.08 work distributions convergence plot
RUN59 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-8be7dca9-2_1 molecule −0.08 ± 0.09 work distributions convergence plot
RUN38 MAT-POS-b3e365b9-1_1 molecule ALP-POS-d3acb8cc-4_1 molecule −0.05 ± 0.05 work distributions convergence plot
RUN60 MAT-POS-b3e365b9-1_1 molecule NAU-LAT-0543f7f2-10_2 molecule −0.0 ± 0.3 work distributions convergence plot
RUN17 MAT-POS-b3e365b9-1_1 molecule MAT-POS-f7918075-1_1 molecule 0.01 ± 0.03 work distributions convergence plot
RUN15 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-1dbca3b4-15_1 molecule 0.01 ± 0.02 work distributions convergence plot
RUN39 MAT-POS-b3e365b9-1_1 molecule MAT-POS-11b63608-1_1 molecule 0.02 ± 0.05 work distributions convergence plot
RUN16 MAT-POS-b3e365b9-1_1 molecule MAT-POS-b3e365b9-1_1 molecule 0.02 ± 0.02 work distributions convergence plot
RUN44 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-8_1 molecule 0.03 ± 0.08 work distributions convergence plot
RUN85 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-0d514e7d-29_1 molecule 0.1 ± 0.2 work distributions convergence plot
RUN83 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-7_1 molecule 0.1 ± 0.1 work distributions convergence plot
RUN35 MAT-POS-b3e365b9-1_1 molecule BEN-DND-c852c98b-7_1 molecule 0.18 ± 0.05 work distributions convergence plot
RUN91 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-23e5a6a0-3_2 molecule 0.2 ± 0.5 work distributions convergence plot
RUN67 MAT-POS-b3e365b9-1_1 molecule ADA-UCB-dc2b944c-11_1 molecule 0.20 ± 0.07 work distributions convergence plot
RUN61 MAT-POS-b3e365b9-1_1 molecule BEN-DND-c852c98b-2_1 molecule 0.23 ± 0.06 work distributions convergence plot
RUN89 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-05e51b3f-13_1 molecule 0.2 ± 0.3 work distributions convergence plot
RUN88 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-23e5a6a0-2_2 molecule 0.3 ± 0.3 work distributions convergence plot
RUN46 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-10_1 molecule 0.33 ± 0.10 work distributions convergence plot
RUN82 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-6a508060-4_2 molecule 0.4 ± 0.1 work distributions convergence plot
RUN51 MAT-POS-b3e365b9-1_1 molecule ADA-UCB-dc2b944c-10_1 molecule 0.39 ± 0.09 work distributions convergence plot
RUN47 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-8be7dca9-9_1 molecule 0.60 ± 0.06 work distributions convergence plot
RUN11 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-e4b030d8-1_1 molecule 0.6 ± 0.1 work distributions convergence plot
RUN57 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-8be7dca9-8_1 molecule 0.65 ± 0.07 work distributions convergence plot
RUN84 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-23e5a6a0-5_1 molecule 0.7 ± 0.4 work distributions convergence plot
RUN68 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-6a508060-8_1 molecule 0.7 ± 0.1 work distributions convergence plot
RUN28 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-6a508060-13_2 molecule 0.7 ± 0.3 work distributions convergence plot
RUN58 MAT-POS-b3e365b9-1_1 molecule ADA-UCB-dc2b944c-9_1 molecule 0.7 ± 0.1 work distributions convergence plot
RUN64 MAT-POS-b3e365b9-1_1 molecule ADA-UCB-dc2b944c-12_1 molecule 0.81 ± 0.05 work distributions convergence plot
RUN90 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-6a508060-9_2 molecule 0.8 ± 0.3 work distributions convergence plot
RUN10 MAT-POS-b3e365b9-1_1 molecule VLA-UCB-1dbca3b4-14_1 molecule 0.85 ± 0.10 work distributions convergence plot
RUN45 MAT-POS-b3e365b9-1_1 molecule BEN-DND-c852c98b-3_1 molecule 0.86 ± 0.08 work distributions convergence plot
RUN48 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-8be7dca9-3_2 molecule 0.9 ± 0.1 work distributions convergence plot
RUN80 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-23e5a6a0-5_2 molecule 1.0 ± 0.3 work distributions convergence plot
RUN4 MAT-POS-b3e365b9-1_1 molecule ADA-UCB-dc2b944c-7_1 molecule 0.98 ± 0.06 work distributions convergence plot
RUN5 MAT-POS-b3e365b9-1_1 molecule ADA-UCB-dc2b944c-5_1 molecule 1.01 ± 0.05 work distributions convergence plot
RUN63 MAT-POS-b3e365b9-1_1 molecule JOH-SUS-a69c159d-1_1 molecule 1.06 ± 0.05 work distributions convergence plot
RUN30 MAT-POS-b3e365b9-1_1 molecule ADA-UCB-dc2b944c-8_1 molecule 1.27 ± 0.05 work distributions convergence plot
RUN86 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-8be7dca9-10_3 molecule 1.50 ± 0.08 work distributions convergence plot
RUN74 MAT-POS-b3e365b9-1_1 molecule ALP-UNI-4b8a177c-1_1 molecule 2.0 ± 0.2 work distributions convergence plot
RUN62 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-28ec730d-1_1 molecule 2.2 ± 0.2 work distributions convergence plot
RUN24 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-8be7dca9-3_4 molecule 2.3 ± 0.1 work distributions convergence plot
RUN87 MAT-POS-b3e365b9-1_1 molecule JOH-UNI-f51e3bbc-3_1 molecule 2.4 ± 0.2 work distributions convergence plot
RUN66 MAT-POS-b3e365b9-1_1 molecule MAK-UNK-8be7dca9-10_1 molecule 3.1 ± 0.1 work distributions convergence plot
RUN3 MAT-POS-b3e365b9-1_1 molecule JAG-UCB-706446eb-3_1 molecule 3.2 ± 0.2 work distributions convergence plot
RUN98 MAT-POS-b3e365b9-1_1 molecule JOH-SUS-a69c159d-3_1 molecule 3.8 ± 0.2 work distributions convergence plot
RUN99 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-6a508060-13_1 molecule 4.5 ± 0.3 work distributions convergence plot
Last updated 2021-01-29T14:28:41.668428+00:00
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