{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000518039,0.0006877397,0.0006248447,0.0004399061,0.0002282876,0.0006848925,0.0006354992,0.0003767312,0.001897992],"category_scores_gemma":[0.0003827903,0.000310224,0.0003098477,0.0002784161,0.0002939339,0.0003276796,0.0004149921,0.001126938,0.0006084922],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00079483,"about_ca_system_score_gemma":0.0004890884,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005064841,"about_ca_topic_score_gemma":0.002101663,"domain_scores_codex":[0.9997879,0.00002808211,0.00001769827,0.00003083399,0.00008131806,0.00005429632],"domain_scores_gemma":[0.9998779,0.00002140417,0.00002187752,0.00001273036,0.00003143175,0.0000344846],"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":[0.0004037961,0.000495644,0.0005783359,0.0002315279,0.00006776382,0.0002496119,0.0000647711,0.002366671,0.9460025,0.002717864,0.00218292,0.04463852],"study_design_scores_gemma":[0.0003879952,0.001587273,0.001094075,0.00003674868,0.0001128034,0.000976708,0.0000434904,0.004912824,0.9631099,0.0005285315,0.02717749,0.00003214346],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.91538,0.02362773,0.03913582,0.001155187,0.00022894,0.0008887828,0.001796576,0.0008175141,0.01696952],"genre_scores_gemma":[0.9631724,0.01122599,0.0146656,0.0004511244,0.00005890281,0.0002524764,0.002573614,0.00008541896,0.007514432],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001897992,"threshold_uncertainty_score":0.006349385,"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."}}