{"id":"W2772653075","doi":"10.1038/nchembio.2528","title":"Discovery and characterization of highly potent and selective allosteric USP7 inhibitors","year":2017,"lang":"en","type":"article","venue":"Nature Chemical Biology","topic":"Ubiquitin and proteasome pathways","field":"Biochemistry, Genetics and Molecular Biology","cited_by":225,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Queen's University; European Regional Development Fund; Invest Northern Ireland","keywords":"Druggability; Deubiquitinating enzyme; Allosteric regulation; Computational biology; Enzyme; Small molecule; Drug discovery; Chemistry; Active site; Biochemistry; Ubiquitin; Biology; Gene","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006373954,0.0001100061,0.0001482774,0.00001837177,0.00006135756,0.00002172386,0.0001119636,0.000495775,0.000001161409],"category_scores_gemma":[0.0001308007,0.00009033515,0.00003083176,0.00001698899,0.0002368961,0.00000779049,0.0002106643,0.0001665714,3.822717e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000004862329,"about_ca_system_score_gemma":0.00001758676,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004833972,"about_ca_topic_score_gemma":0.000001351356,"domain_scores_codex":[0.9994138,0.00002605585,0.0001153242,0.0002807365,0.00003425114,0.0001297849],"domain_scores_gemma":[0.9995795,0.00000992652,0.0001288097,0.000188747,0.00004974578,0.000043309],"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":[0.00009343029,0.00001722614,0.008459264,0.00001991584,0.00002319652,5.401122e-7,0.00001431491,4.43605e-9,0.987655,0.0002167116,0.00003370389,0.003466655],"study_design_scores_gemma":[0.0003034738,0.0001560408,0.01829294,0.00001199985,0.000009617544,0.00001371944,0.00000345897,0.000002211449,0.9783579,0.0001937375,0.00254997,0.0001049208],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9984288,0.0005945753,0.00004175495,0.0003186861,0.000102587,0.0001160759,0.00006802657,0.000004556992,0.0003249972],"genre_scores_gemma":[0.9988741,0.0002928423,0.0001344474,0.0001899542,0.0002065157,0.000008361538,0.0002284915,0.000008332339,0.00005700625],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009833676,"threshold_uncertainty_score":0.3823871,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00568947017550069,"score_gpt":0.2393702580640024,"score_spread":0.2336807878885017,"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."}}