{"id":"W2763250708","doi":"10.1021/acs.jmedchem.7b00933","title":"Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin","year":2017,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Histone Deacetylase Inhibitors Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":43,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"Structural Genomics Consortium; Diamond Light Source; Natural Sciences and Engineering Research Council of Canada; Government of Canada; Wellcome Trust","keywords":"Chemistry; HDAC6; Ubiquitin; Zinc finger; Small molecule; Histone deacetylase; RING finger domain; Ligand (biochemistry); Computational biology; Acetylation; Binding site; Binding domain; Histone; Biophysics; Cell biology; Biochemistry; Receptor; DNA; Biology; Transcription factor","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009106937,0.0001417455,0.0002377605,0.00002102022,0.0003040132,0.00003473414,0.0006679212,0.0001440694,0.00001953306],"category_scores_gemma":[0.0007564645,0.00008602018,0.0001508107,0.00003529877,0.0006638531,0.000008569323,0.0002615087,0.0005196519,8.054175e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006341716,"about_ca_system_score_gemma":0.000212902,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003551512,"about_ca_topic_score_gemma":0.00001055947,"domain_scores_codex":[0.9987184,0.00008606874,0.0004303441,0.0001653354,0.0004055149,0.0001943698],"domain_scores_gemma":[0.998235,0.00005411981,0.0007943675,0.0005581441,0.0002278639,0.000130452],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001639184,0.00003754953,0.001571998,0.00007837513,0.00006920312,0.00002470235,0.0001140089,0.000002010246,0.9940037,0.000002150552,0.002672334,0.001260123],"study_design_scores_gemma":[0.0007997425,0.0001541798,0.002790083,0.0001790553,0.00005685415,0.0005114577,0.000271169,0.000005463009,0.985895,0.00002616422,0.009222957,0.00008790905],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9945056,0.0009973746,0.00009403659,0.002720689,0.0001755471,0.00007687628,0.000009179695,0.000001467392,0.001419195],"genre_scores_gemma":[0.9981024,0.000132361,0.0001222247,0.00007266241,0.0009861725,0.000002404863,0.000004427222,0.00001646013,0.0005608685],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008108662,"threshold_uncertainty_score":0.3507801,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02192232480933046,"score_gpt":0.317672498640149,"score_spread":0.2957501738308185,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}