Transformations

Showing 101 through 200 of 100
RUN Atom map Initial microstate Final microstate ΔΔG / kcal M-1 Work distribution Bootstrapping Convergence
RUN117 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-77d5678a-6_1 molecule −0.31 ± 0.07 work distributions bootstrapping convergence
RUN311 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-8484f2d3-2_1 molecule −0.3 ± 0.5 work distributions bootstrapping convergence
RUN115 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-8c3e556a-1_1 molecule −0.27 ± 0.10 work distributions bootstrapping convergence
RUN169 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-f702bf1c-7_1 molecule −0.3 ± 0.2 work distributions bootstrapping convergence
RUN247 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-61877630-3_1 molecule −0.3 ± 0.1 work distributions bootstrapping convergence
RUN32 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-aa57768f-9_1 molecule −0.26 ± 0.09 work distributions bootstrapping convergence
RUN50 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-8bb691af-8_1 molecule −0.21 ± 0.10 work distributions bootstrapping convergence
RUN334 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-ee81482e-5_1 molecule −0.2 ± 0.4 work distributions bootstrapping convergence
RUN52 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-14142a25-1_1 molecule −0.18 ± 0.10 work distributions bootstrapping convergence
RUN178 VLA-UCB-50c39ae8-2_1 molecule ALP-POS-ecbed2ba-9_1 molecule −0.2 ± 0.3 work distributions bootstrapping convergence
RUN240 VLA-UCB-50c39ae8-2_1 molecule JOH-MSK-b735e33c-1_2 molecule −0.1 ± 0.2 work distributions bootstrapping convergence
RUN85 VLA-UCB-50c39ae8-2_1 molecule EDG-MED-b1ef7fe3-1_1 molecule −0.1 ± 0.1 work distributions bootstrapping convergence
RUN68 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-9931618f-1_1 molecule −0.14 ± 0.10 work distributions bootstrapping convergence
RUN250 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-5cd3920d-4_1 molecule −0.1 ± 0.1 work distributions bootstrapping convergence
RUN101 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-aa57768f-1_1 molecule −0.1 ± 0.1 work distributions bootstrapping convergence
RUN217 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-94036022-5_1 molecule −0.1 ± 0.2 work distributions bootstrapping convergence
RUN144 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-fed7ac0b-2_1 molecule −0.1 ± 0.1 work distributions bootstrapping convergence
RUN202 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-94036022-12_1 molecule −0.1 ± 0.2 work distributions bootstrapping convergence
RUN326 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-468565e0-1_1 molecule −0.1 ± 0.5 work distributions bootstrapping convergence
RUN267 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-7e491f08-1_1 molecule −0.1 ± 0.4 work distributions bootstrapping convergence
RUN277 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-853c0ffa-22_1 molecule −0.1 ± 0.2 work distributions bootstrapping convergence
RUN154 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-77d5678a-5_1 molecule −0.07 ± 0.07 work distributions bootstrapping convergence
RUN81 VLA-UCB-50c39ae8-2_1 molecule MIK-ENA-794411b8-1_1 molecule −0.07 ± 0.10 work distributions bootstrapping convergence
RUN136 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-976a33d5-1_1 molecule −0.1 ± 0.1 work distributions bootstrapping convergence
RUN93 VLA-UCB-50c39ae8-2_1 molecule EDG-MED-b1ef7fe3-3_1 molecule −0.04 ± 0.09 work distributions bootstrapping convergence
RUN2 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-159244ea-1_1 molecule −0.03 ± 0.04 work distributions bootstrapping convergence
RUN106 VLA-UCB-50c39ae8-2_1 molecule ALP-POS-ecbed2ba-18_1 molecule −0.0 ± 0.2 work distributions bootstrapping convergence
RUN88 VLA-UCB-50c39ae8-2_1 molecule EDG-MED-b1ef7fe3-2_1 molecule −0.0 ± 0.1 work distributions bootstrapping convergence
RUN191 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-b6c6ee2b-7_1 molecule −0.00 ± 0.10 work distributions bootstrapping convergence
RUN21 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-94643566-1_1 molecule −0.001 ± 0.004 work distributions bootstrapping convergence
RUN23 VLA-UCB-50c39ae8-2_1 molecule VLA-UCB-05e51b3f-5_1 molecule −0.001 ± 0.003 work distributions bootstrapping convergence
RUN13 VLA-UCB-50c39ae8-2_1 molecule VLA-UCB-50c39ae8-2_1 molecule 0.001 ± 0.005 work distributions bootstrapping convergence
RUN16 VLA-UCB-50c39ae8-2_1 molecule BEN-BAS-c2bc0d80-6_1 molecule 0.001 ± 0.004 work distributions bootstrapping convergence
RUN206 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-868e8996-10_1 molecule 0.0 ± 0.3 work distributions bootstrapping convergence
RUN105 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-b6c6ee2b-6_1 molecule 0.01 ± 0.09 work distributions bootstrapping convergence
RUN104 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-4_2 molecule 0.0 ± 0.2 work distributions bootstrapping convergence
RUN87 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-f702bf1c-3_1 molecule 0.0 ± 0.1 work distributions bootstrapping convergence
RUN78 VLA-UCB-50c39ae8-2_1 molecule MIK-ENA-37e0b697-1_1 molecule 0.0 ± 0.1 work distributions bootstrapping convergence
RUN142 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-576f7758-2_1 molecule 0.0 ± 0.1 work distributions bootstrapping convergence
RUN271 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-7d88f880-2_2 molecule 0.0 ± 0.1 work distributions bootstrapping convergence
RUN155 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-e48723dc-2_1 molecule 0.05 ± 0.10 work distributions bootstrapping convergence
RUN224 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-7d88f880-1_2 molecule 0.1 ± 0.1 work distributions bootstrapping convergence
RUN92 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-853c0ffa-1_1 molecule 0.08 ± 0.09 work distributions bootstrapping convergence
RUN166 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-94036022-10_1 molecule 0.1 ± 0.2 work distributions bootstrapping convergence
RUN15 VLA-UCB-50c39ae8-2_1 molecule ALP-POS-477dc5b7-4_1 molecule 0.09 ± 0.04 work distributions bootstrapping convergence
RUN133 VLA-UCB-50c39ae8-2_1 molecule ALP-POS-ecbed2ba-3_1 molecule 0.1 ± 0.2 work distributions bootstrapping convergence
RUN284 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-3_1 molecule 0.1 ± 0.4 work distributions bootstrapping convergence
RUN37 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-aa57768f-3_1 molecule 0.10 ± 0.08 work distributions bootstrapping convergence
RUN90 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-868e8996-7_1 molecule 0.13 ± 0.09 work distributions bootstrapping convergence
RUN293 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-853c0ffa-11_1 molecule 0.1 ± 0.3 work distributions bootstrapping convergence
RUN72 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-9931618f-2_1 molecule 0.2 ± 0.1 work distributions bootstrapping convergence
RUN201 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-cc48ee33-4_1 molecule 0.2 ± 0.1 work distributions bootstrapping convergence
RUN91 VLA-UCB-50c39ae8-2_1 molecule EDG-MED-b1ef7fe3-4_1 molecule 0.2 ± 0.1 work distributions bootstrapping convergence
RUN11 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-983b399a-1_1 molecule 0.18 ± 0.05 work distributions bootstrapping convergence
RUN119 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-1d5ab790-3_1 molecule 0.19 ± 0.10 work distributions bootstrapping convergence
RUN309 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-5cd3920d-1_1 molecule 0.2 ± 0.3 work distributions bootstrapping convergence
RUN329 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-468565e0-5_1 molecule 0.2 ± 0.5 work distributions bootstrapping convergence
RUN36 VLA-UCB-50c39ae8-2_1 molecule DAR-DIA-0f7b7cd9-8_1 molecule 0.21 ± 0.05 work distributions bootstrapping convergence
RUN148 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-5_2 molecule 0.2 ± 0.2 work distributions bootstrapping convergence
RUN28 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-56836b69-2_1 molecule 0.23 ± 0.08 work distributions bootstrapping convergence
RUN210 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-94036022-2_1 molecule 0.2 ± 0.2 work distributions bootstrapping convergence
RUN320 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-40ad851a-1_2 molecule 0.2 ± 0.7 work distributions bootstrapping convergence
RUN244 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-98c0a822-2_1 molecule 0.3 ± 0.3 work distributions bootstrapping convergence
RUN122 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-a12e3a20-2_1 molecule 0.27 ± 0.10 work distributions bootstrapping convergence
RUN261 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-61877630-10_1 molecule 0.3 ± 0.3 work distributions bootstrapping convergence
RUN251 VLA-UCB-50c39ae8-2_1 molecule ALP-POS-ecbed2ba-22_1 molecule 0.3 ± 0.3 work distributions bootstrapping convergence
RUN256 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-2_1 molecule 0.3 ± 0.3 work distributions bootstrapping convergence
RUN223 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-7d88f880-1_1 molecule 0.3 ± 0.1 work distributions bootstrapping convergence
RUN239 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-b6c6ee2b-4_1 molecule 0.3 ± 0.3 work distributions bootstrapping convergence
RUN10 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-90505e2b-1_1 molecule 0.31 ± 0.02 work distributions bootstrapping convergence
RUN265 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-61877630-8_1 molecule 0.3 ± 0.3 work distributions bootstrapping convergence
RUN18 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-ec6d90b7-1_1 molecule 0.34 ± 0.03 work distributions bootstrapping convergence
RUN175 VLA-UCB-50c39ae8-2_1 molecule ALP-POS-ecbed2ba-13_1 molecule 0.3 ± 0.3 work distributions bootstrapping convergence
RUN188 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-98c0a822-4_1 molecule 0.4 ± 0.1 work distributions bootstrapping convergence
RUN215 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-868e8996-9_1 molecule 0.4 ± 0.3 work distributions bootstrapping convergence
RUN235 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-1_1 molecule 0.4 ± 0.3 work distributions bootstrapping convergence
RUN30 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-ec6d90b7-2_1 molecule 0.39 ± 0.03 work distributions bootstrapping convergence
RUN266 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-976a33d5-2_1 molecule 0.4 ± 0.1 work distributions bootstrapping convergence
RUN316 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-ee81482e-2_1 molecule 0.4 ± 0.5 work distributions bootstrapping convergence
RUN26 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-3a43cd95-1_1 molecule 0.41 ± 0.06 work distributions bootstrapping convergence
RUN197 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-1bed62cf-1_1 molecule 0.4 ± 0.3 work distributions bootstrapping convergence
RUN221 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-853c0ffa-13_1 molecule 0.4 ± 0.3 work distributions bootstrapping convergence
RUN64 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-fed7ac0b-1_1 molecule 0.5 ± 0.1 work distributions bootstrapping convergence
RUN172 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-94036022-3_1 molecule 0.5 ± 0.2 work distributions bootstrapping convergence
RUN167 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-8bb691af-6_1 molecule 0.5 ± 0.3 work distributions bootstrapping convergence
RUN339 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-468565e0-3_1 molecule 0.5 ± 0.5 work distributions bootstrapping convergence
RUN252 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-5cd3920d-5_1 molecule 0.5 ± 0.3 work distributions bootstrapping convergence
RUN12 VLA-UCB-50c39ae8-2_1 molecule DAR-DIA-6be260fc-5_1 molecule 0.51 ± 0.07 work distributions bootstrapping convergence
RUN27 VLA-UCB-50c39ae8-2_1 molecule DAR-DIA-0f7b7cd9-9_1 molecule 0.53 ± 0.05 work distributions bootstrapping convergence
RUN237 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-61877630-7_1 molecule 0.5 ± 0.3 work distributions bootstrapping convergence
RUN195 VLA-UCB-50c39ae8-2_1 molecule MIK-ENA-5d9157e9-1_1 molecule 0.5 ± 0.4 work distributions bootstrapping convergence
RUN127 VLA-UCB-50c39ae8-2_1 molecule VLA-UCB-34f3ed0c-15_1 molecule 0.5 ± 0.3 work distributions bootstrapping convergence
RUN73 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-fd8ed875-3_1 molecule 0.56 ± 0.09 work distributions bootstrapping convergence
RUN182 VLA-UCB-50c39ae8-2_1 molecule ALP-POS-ecbed2ba-10_1 molecule 0.6 ± 0.3 work distributions bootstrapping convergence
RUN130 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-fd8ed875-5_1 molecule 0.58 ± 0.09 work distributions bootstrapping convergence
RUN214 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-cc48ee33-2_1 molecule 0.6 ± 0.1 work distributions bootstrapping convergence
RUN233 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-a12e3a20-1_1 molecule 0.6 ± 0.4 work distributions bootstrapping convergence
RUN292 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-853c0ffa-16_1 molecule 0.6 ± 0.2 work distributions bootstrapping convergence
RUN79 VLA-UCB-50c39ae8-2_1 molecule JOH-MSK-1f2dff76-2_1 molecule 0.6 ± 0.2 work distributions bootstrapping convergence
RUN45 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-7587a9ee-3_1 molecule 0.6 ± 0.1 work distributions bootstrapping convergence
Last updated 2022-01-14T16:24:15.053114+00:00
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