Retrospective Transformations

retrospective transformations plot - all transformations retrospective transformations plot - reliable transformations retrospective transformations plot - no racemates
Showing 501 through 600 of 5077
RUN Initial microstate Final microstate ΔΔG / kcal M-1 ΔΔGexp / kcal M-1 |ΔΔG-ΔΔGexp| / kcal M-1 Work distribution Convergence
RUN4455 PET-UNK-29afea89-2_1 molecule MAT-POS-ec6d90b7-5_1 molecule 2.2 ± 0.4 0.3 ± 0.2 1.8 ± 0.4 work distributions convergence plot
RUN2159 PET-UNK-29afea89-2_1 molecule MAT-POS-fce787c2-11_2 molecule 1.1 ± 0.3 3.2 ± 0.2 1.8 ± 0.3 work distributions convergence plot
RUN2158 PET-UNK-29afea89-2_1 molecule MAT-POS-fce787c2-11_1 molecule 2.3 ± 0.3 3.2 ± 0.2 1.8 ± 0.4 work distributions convergence plot
RUN364 PET-UNK-29afea89-2_1 molecule MAT-POS-8a69d52e-2_1 molecule −0.6 ± 0.5 1.2 ± 0.2 1.8 ± 0.5 work distributions convergence plot
RUN3025 PET-UNK-29afea89-2_1 molecule ALP-UNI-8e43a71e-16_1 molecule 0.0 ± 0.3 2.3 ± 0.2 1.8 ± 0.3 work distributions convergence plot
RUN3026 PET-UNK-29afea89-2_1 molecule ALP-UNI-8e43a71e-16_2 molecule 2.2 ± 0.3 2.3 ± 0.2 1.8 ± 0.4 work distributions convergence plot
RUN1964 PET-UNK-29afea89-2_1 molecule ALP-UNI-3735e77e-4_2 molecule 1.8 ± 0.5 0.4 ± 0.2 1.8 ± 0.6 work distributions convergence plot
RUN1960 PET-UNK-29afea89-2_1 molecule ALP-UNI-3735e77e-4_1 molecule 4.2 ± 0.3 0.4 ± 0.2 1.8 ± 0.4 work distributions convergence plot
RUN298 PET-UNK-29afea89-2_1 molecule ALP-POS-477dc5b7-2_2 molecule −1.4 ± 0.3 0.7 ± 0.2 1.8 ± 0.4 work distributions convergence plot
RUN299 PET-UNK-29afea89-2_1 molecule ALP-POS-477dc5b7-2_1 molecule −0.5 ± 0.2 0.7 ± 0.2 1.8 ± 0.3 work distributions convergence plot
RUN2441 PET-UNK-29afea89-2_1 molecule ALP-POS-5bb456a5-8_2 molecule −0.3 ± 0.4 1.9 ± 0.2 1.8 ± 0.4 work distributions convergence plot
RUN2440 PET-UNK-29afea89-2_1 molecule ALP-POS-5bb456a5-8_1 molecule 6.6 ± 0.3 1.9 ± 0.2 1.8 ± 0.4 work distributions convergence plot
RUN4781 PET-UNK-29afea89-2_1 molecule MAT-POS-24589f88-8_1 molecule 0.7 ± 0.2 2.6 ± 0.2 1.8 ± 0.3 work distributions convergence plot
RUN4782 PET-UNK-29afea89-2_1 molecule MAT-POS-24589f88-8_2 molecule 0.8 ± 0.2 2.6 ± 0.2 1.8 ± 0.3 work distributions convergence plot
RUN2216 PET-UNK-29afea89-2_1 molecule LEE-CAM-7ab9b158-3_1 molecule 0.0 ± 0.4 1.9 ± 0.2 1.8 ± 0.4 work distributions convergence plot
RUN2215 PET-UNK-29afea89-2_1 molecule LEE-CAM-7ab9b158-3_2 molecule 0.1 ± 0.4 1.9 ± 0.2 1.8 ± 0.4 work distributions convergence plot
RUN3129 PET-UNK-29afea89-2_1 molecule ALP-POS-fe871b40-11_1 molecule −1.1 ± 0.2 0.9 ± 0.2 1.8 ± 0.2 work distributions convergence plot
RUN3130 PET-UNK-29afea89-2_1 molecule ALP-POS-fe871b40-11_2 molecule −0.6 ± 0.2 0.9 ± 0.2 1.8 ± 0.3 work distributions convergence plot
RUN3266 PET-UNK-29afea89-2_1 molecule LON-WEI-9739a092-2_1 molecule 0.2 ± 0.2 1.9 ± 0.2 1.8 ± 0.2 work distributions convergence plot
RUN1970 PET-UNK-29afea89-2_1 molecule RAL-THA-2d450e86-5_1 molecule 2.4 ± 0.6 4.2 ± 0.2 1.8 ± 0.6 work distributions convergence plot
RUN172 PET-UNK-29afea89-2_1 molecule VLA-UCB-1dbca3b4-15_2 molecule −1.3 ± 0.1 0.9 ± 0.2 1.8 ± 0.2 work distributions convergence plot
RUN171 PET-UNK-29afea89-2_1 molecule VLA-UCB-1dbca3b4-15_1 molecule 2.0 ± 0.2 0.9 ± 0.2 1.8 ± 0.3 work distributions convergence plot
RUN2329 PET-UNK-29afea89-2_1 molecule EDG-MED-0e5afe9d-3_1 molecule −1.7 ± 0.4 0.5 ± 0.2 1.8 ± 0.4 work distributions convergence plot
RUN2332 PET-UNK-29afea89-2_1 molecule EDG-MED-0e5afe9d-3_2 molecule 1.8 ± 0.5 0.5 ± 0.2 1.8 ± 0.6 work distributions convergence plot
RUN284 PET-UNK-29afea89-2_1 molecule EDJ-MED-e4b030d8-2_1 molecule −1.2 ± 0.2 0.6 ± 0.2 1.8 ± 0.3 work distributions convergence plot
RUN1246 PET-UNK-29afea89-2_1 molecule RAL-THA-4aa06b95-7_4 molecule −0.9 ± 0.3 1.1 ± 0.2 1.8 ± 0.3 work distributions convergence plot
RUN1245 PET-UNK-29afea89-2_1 molecule RAL-THA-4aa06b95-7_3 molecule −0.6 ± 0.1 1.1 ± 0.2 1.8 ± 0.2 work distributions convergence plot
RUN1244 PET-UNK-29afea89-2_1 molecule RAL-THA-4aa06b95-7_2 molecule −0.1 ± 0.4 1.1 ± 0.2 1.8 ± 0.4 work distributions convergence plot
RUN2691 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-19_2 molecule −0.3 ± 0.3 2.0 ± 0.2 1.8 ± 0.3 work distributions convergence plot
RUN2692 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-19_3 molecule 0.06 ± 0.07 2.0 ± 0.2 1.8 ± 0.2 work distributions convergence plot
RUN2690 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-19_1 molecule 1.5 ± 0.1 2.0 ± 0.2 1.8 ± 0.2 work distributions convergence plot
RUN2693 PET-UNK-29afea89-2_1 molecule EDG-MED-ba1ac7b9-19_4 molecule 2.3 ± 0.2 2.0 ± 0.2 1.8 ± 0.2 work distributions convergence plot
RUN4763 PET-UNK-29afea89-2_1 molecule MAT-POS-24589f88-1_1 molecule 0.6 ± 0.3 2.3 ± 0.2 1.7 ± 0.3 work distributions convergence plot
RUN2822 PET-UNK-29afea89-2_1 molecule EDJ-MED-ee07cf00-9_1 molecule 1.1 ± 0.2 3.2 ± 0.2 1.7 ± 0.3 work distributions convergence plot
RUN2821 PET-UNK-29afea89-2_1 molecule EDJ-MED-ee07cf00-9_2 molecule 4.2 ± 0.2 3.2 ± 0.2 1.7 ± 0.3 work distributions convergence plot
RUN2222 PET-UNK-29afea89-2_1 molecule MAT-POS-de59a476-4_1 molecule −0.7 ± 0.5 1.4 ± 0.2 1.7 ± 0.5 work distributions convergence plot
RUN2224 PET-UNK-29afea89-2_1 molecule MAT-POS-de59a476-4_2 molecule 3.6 ± 0.6 1.4 ± 0.2 1.7 ± 0.7 work distributions convergence plot
RUN1129 PET-UNK-29afea89-2_1 molecule MAT-POS-8d5af1ef-1_2 molecule −0.6 ± 0.3 1.5 ± 0.2 1.7 ± 0.3 work distributions convergence plot
RUN1128 PET-UNK-29afea89-2_1 molecule MAT-POS-8d5af1ef-1_1 molecule 5.1 ± 0.2 1.5 ± 0.2 1.7 ± 0.2 work distributions convergence plot
RUN2149 PET-UNK-29afea89-2_1 molecule MAT-POS-fce787c2-5_1 molecule 0.3 ± 0.4 2.4 ± 0.2 1.7 ± 0.4 work distributions convergence plot
RUN2150 PET-UNK-29afea89-2_1 molecule MAT-POS-fce787c2-5_2 molecule 3.8 ± 0.4 2.4 ± 0.2 1.7 ± 0.4 work distributions convergence plot
RUN2807 PET-UNK-29afea89-2_1 molecule EDJ-MED-ee07cf00-4_1 molecule −0.1 ± 0.2 2.4 ± 0.2 1.7 ± 0.3 work distributions convergence plot
RUN2812 PET-UNK-29afea89-2_1 molecule EDJ-MED-ee07cf00-4_4 molecule 4.2 ± 0.2 2.4 ± 0.2 1.7 ± 0.2 work distributions convergence plot
RUN2808 PET-UNK-29afea89-2_1 molecule EDJ-MED-ee07cf00-4_2 molecule 5.5 ± 0.2 2.4 ± 0.2 1.7 ± 0.3 work distributions convergence plot
RUN2809 PET-UNK-29afea89-2_1 molecule EDJ-MED-ee07cf00-4_3 molecule 5.5 ± 0.1 2.4 ± 0.2 1.7 ± 0.2 work distributions convergence plot
RUN297 PET-UNK-29afea89-2_1 molecule EDJ-MED-e4b030d8-13_1 molecule −1.0 ± 0.3 0.7 ± 0.2 1.7 ± 0.3 work distributions convergence plot
RUN312 PET-UNK-29afea89-2_1 molecule PET-UNK-372a2f82-1_1 molecule 0.8 ± 0.3 2.4 ± 0.2 1.7 ± 0.3 work distributions convergence plot
RUN3360 PET-UNK-29afea89-2_1 molecule DAR-DIA-0587064e-12_1 molecule 0.61 ± 0.10 2.5 ± 0.2 1.7 ± 0.2 work distributions convergence plot
RUN3362 PET-UNK-29afea89-2_1 molecule DAR-DIA-0587064e-12_2 molecule 1.2 ± 0.4 2.5 ± 0.2 1.7 ± 0.4 work distributions convergence plot
RUN60 PET-UNK-29afea89-2_1 molecule ALP-POS-3b848b35-2_2 molecule −1.6 ± 0.2 0.5 ± 0.2 1.7 ± 0.3 work distributions convergence plot
RUN59 PET-UNK-29afea89-2_1 molecule ALP-POS-3b848b35-2_1 molecule 0.7 ± 0.1 0.5 ± 0.2 1.7 ± 0.2 work distributions convergence plot
RUN4585 PET-UNK-29afea89-2_1 molecule MAT-POS-61f37a1a-3_1 molecule 1.0 ± 0.3 3.1 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN4588 PET-UNK-29afea89-2_1 molecule MAT-POS-61f37a1a-3_2 molecule 3.5 ± 0.4 3.1 ± 0.2 1.6 ± 0.4 work distributions convergence plot
RUN4328 PET-UNK-29afea89-2_1 molecule ALP-UNI-dbb9503d-1_1 molecule −0.8 ± 0.2 1.0 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN4329 PET-UNK-29afea89-2_1 molecule ALP-UNI-dbb9503d-1_2 molecule −0.3 ± 0.2 1.0 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN1462 PET-UNK-29afea89-2_1 molecule ALP-POS-ce760d3f-1_2 molecule −0.7 ± 0.3 1.2 ± 0.2 1.6 ± 0.4 work distributions convergence plot
RUN1461 PET-UNK-29afea89-2_1 molecule ALP-POS-ce760d3f-1_1 molecule −0.2 ± 0.3 1.2 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN2846 PET-UNK-29afea89-2_1 molecule EDJ-MED-ee07cf00-18_2 molecule 0.0 ± 0.2 2.0 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN2845 PET-UNK-29afea89-2_1 molecule EDJ-MED-ee07cf00-18_1 molecule 1.4 ± 0.2 2.0 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN1138 PET-UNK-29afea89-2_1 molecule BEN-BAS-c2bc0d80-7_1 molecule −0.5 ± 0.3 1.1 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN3142 PET-UNK-29afea89-2_1 molecule EDJ-MED-37aac4bd-2_2 molecule 0.6 ± 0.2 2.3 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN3141 PET-UNK-29afea89-2_1 molecule EDJ-MED-37aac4bd-2_1 molecule 0.8 ± 0.2 2.3 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN2182 PET-UNK-29afea89-2_1 molecule MAT-POS-c74bc7b3-1_1 molecule 2.6 ± 0.4 1.0 ± 0.2 1.6 ± 0.4 work distributions convergence plot
RUN3547 PET-UNK-29afea89-2_1 molecule EDJ-MED-cf4b0d25-3_1 molecule 0.2 ± 0.2 2.0 ± 0.2 1.6 ± 0.2 work distributions convergence plot
RUN3548 PET-UNK-29afea89-2_1 molecule EDJ-MED-cf4b0d25-3_2 molecule 0.5 ± 0.2 2.0 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN1972 PET-UNK-29afea89-2_1 molecule RAL-THA-2d450e86-6_1 molecule 2.5 ± 0.5 0.9 ± 0.2 1.6 ± 0.5 work distributions convergence plot
RUN1949 PET-UNK-29afea89-2_1 molecule MAT-POS-c7771779-1_1 molecule 1.4 ± 0.5 3.3 ± 0.2 1.6 ± 0.5 work distributions convergence plot
RUN1952 PET-UNK-29afea89-2_1 molecule MAT-POS-c7771779-1_2 molecule 2.6 ± 0.4 3.3 ± 0.2 1.6 ± 0.4 work distributions convergence plot
RUN4089 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-17_1 molecule 2.4 ± 0.2 1.0 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN4090 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-17_2 molecule 3.0 ± 0.4 1.0 ± 0.2 1.6 ± 0.4 work distributions convergence plot
RUN4155 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-37_1 molecule 2.3 ± 0.2 0.9 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN4156 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-37_2 molecule 2.7 ± 0.4 0.9 ± 0.2 1.6 ± 0.5 work distributions convergence plot
RUN1934 PET-UNK-29afea89-2_1 molecule EDJ-MED-4c7486ba-8_1 molecule 3.4 ± 0.4 1.9 ± 0.2 1.6 ± 0.5 work distributions convergence plot
RUN2141 PET-UNK-29afea89-2_1 molecule MAT-POS-2bb0cf2b-1_1 molecule 2.6 ± 0.5 4.1 ± 0.2 1.6 ± 0.5 work distributions convergence plot
RUN4775 PET-UNK-29afea89-2_1 molecule MAT-POS-24589f88-4_4 molecule 0.5 ± 0.2 2.8 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN4774 PET-UNK-29afea89-2_1 molecule MAT-POS-24589f88-4_3 molecule 1.7 ± 0.3 2.8 ± 0.2 1.6 ± 0.3 work distributions convergence plot
RUN4773 PET-UNK-29afea89-2_1 molecule MAT-POS-24589f88-4_2 molecule 2.6 ± 0.4 2.8 ± 0.2 1.6 ± 0.5 work distributions convergence plot
RUN4772 PET-UNK-29afea89-2_1 molecule MAT-POS-24589f88-4_1 molecule 3.9 ± 0.3 2.8 ± 0.2 1.6 ± 0.4 work distributions convergence plot
RUN291 PET-UNK-29afea89-2_1 molecule EDJ-MED-e4b030d8-8_1 molecule 0.7 ± 0.3 2.3 ± 0.2 1.5 ± 0.4 work distributions convergence plot
RUN3627 PET-UNK-29afea89-2_1 molecule MAT-POS-5369c344-6_2 molecule 1.4 ± 0.2 3.4 ± 0.2 1.5 ± 0.3 work distributions convergence plot
RUN3624 PET-UNK-29afea89-2_1 molecule MAT-POS-5369c344-6_1 molecule 7.4 ± 0.1 3.4 ± 0.2 1.5 ± 0.2 work distributions convergence plot
RUN1864 PET-UNK-29afea89-2_1 molecule MAT-POS-281d2ee9-1_1 molecule 0.4 ± 0.5 2.1 ± 0.2 1.5 ± 0.5 work distributions convergence plot
RUN1868 PET-UNK-29afea89-2_1 molecule MAT-POS-281d2ee9-1_2 molecule 0.6 ± 0.4 2.1 ± 0.2 1.5 ± 0.4 work distributions convergence plot
RUN2344 PET-UNK-29afea89-2_1 molecule EDJ-MED-9e38fd34-1_2 molecule −0.8 ± 0.3 1.2 ± 0.2 1.5 ± 0.4 work distributions convergence plot
RUN2343 PET-UNK-29afea89-2_1 molecule EDJ-MED-9e38fd34-1_1 molecule 2.3 ± 0.4 1.2 ± 0.2 1.5 ± 0.4 work distributions convergence plot
RUN4408 PET-UNK-29afea89-2_1 molecule MAT-POS-fc9ede84-1_2 molecule −0.6 ± 0.2 1.2 ± 0.2 1.5 ± 0.3 work distributions convergence plot
RUN4407 PET-UNK-29afea89-2_1 molecule MAT-POS-fc9ede84-1_1 molecule 0.3 ± 0.3 1.2 ± 0.2 1.5 ± 0.3 work distributions convergence plot
RUN334 PET-UNK-29afea89-2_1 molecule DAR-DIA-6a508060-2_1 molecule −0.5 ± 0.7 1.1 ± 0.2 1.5 ± 0.7 work distributions convergence plot
RUN335 PET-UNK-29afea89-2_1 molecule DAR-DIA-6a508060-2_2 molecule −0.4 ± 0.6 1.1 ± 0.2 1.5 ± 0.6 work distributions convergence plot
RUN3935 PET-UNK-29afea89-2_1 molecule MAT-POS-96f51285-6_1 molecule −1.7 ± 0.2 0.3 ± 0.2 1.5 ± 0.3 work distributions convergence plot
RUN3936 PET-UNK-29afea89-2_1 molecule MAT-POS-96f51285-6_2 molecule 1.5 ± 0.2 0.3 ± 0.2 1.5 ± 0.3 work distributions convergence plot
RUN1948 PET-UNK-29afea89-2_1 molecule ALP-POS-869ac754-1_1 molecule 2.0 ± 0.5 0.5 ± 0.2 1.5 ± 0.6 work distributions convergence plot
RUN1950 PET-UNK-29afea89-2_1 molecule ALP-POS-869ac754-1_2 molecule 2.1 ± 0.5 0.5 ± 0.2 1.5 ± 0.5 work distributions convergence plot
RUN149 PET-UNK-29afea89-2_1 molecule MAT-POS-9ff17035-3_1 molecule 0.1 ± 0.1 1.7 ± 0.2 1.5 ± 0.2 work distributions convergence plot
RUN4597 PET-UNK-29afea89-2_1 molecule MAT-POS-61f37a1a-7_3 molecule 0.7 ± 0.3 2.5 ± 0.2 1.5 ± 0.4 work distributions convergence plot
RUN4596 PET-UNK-29afea89-2_1 molecule MAT-POS-61f37a1a-7_2 molecule 0.8 ± 0.2 2.5 ± 0.2 1.5 ± 0.3 work distributions convergence plot
RUN4595 PET-UNK-29afea89-2_1 molecule MAT-POS-61f37a1a-7_1 molecule 1.6 ± 0.4 2.5 ± 0.2 1.5 ± 0.4 work distributions convergence plot
RUN4599 PET-UNK-29afea89-2_1 molecule MAT-POS-61f37a1a-7_4 molecule 1.8 ± 0.3 2.5 ± 0.2 1.5 ± 0.3 work distributions convergence plot
RUN2079 PET-UNK-29afea89-2_1 molecule MAT-POS-5d65ec79-2_2 molecule 0.3 ± 0.3 2.2 ± 0.2 1.5 ± 0.3 work distributions convergence plot
RUN2078 PET-UNK-29afea89-2_1 molecule MAT-POS-5d65ec79-2_1 molecule 2.3 ± 0.7 2.2 ± 0.2 1.5 ± 0.7 work distributions convergence plot
Last updated 2021-06-04T18:13:56.580002+00:00
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