{"id":"W3194477562","doi":"10.1021/acsptsci.1c00091","title":"Structure-Based Design of First-Generation Small Molecule Inhibitors Targeting the Catalytic Pockets of AID, APOBEC3A, and APOBEC3B","year":2021,"lang":"en","type":"article","venue":"ACS Pharmacology & Translational Science","topic":"Chronic Lymphocytic Leukemia Research","field":"Medicine","cited_by":28,"is_retracted":false,"has_abstract":true,"ca_institutions":"Terry Fox Research Institute; Simon Fraser University; University of British Columbia; Memorial University of Newfoundland","funders":"International Development Research Centre; Canadian Institutes of Health Research; Leukemia and Lymphoma Society of Canada","keywords":"Cytidine deaminase; Small molecule; Activation-induced (cytidine) deaminase; Chemistry; Oxidoreductase; Enzyme; Mutant; Biochemistry; Biology; Antibody; Somatic hypermutation; Genetics; Gene; B cell","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001796096,0.0005795151,0.0004980773,0.0002726795,0.0002601088,0.0005760784,0.0005721898,0.0003469689,0.001842777],"category_scores_gemma":[0.0001891858,0.0003328603,0.00034442,0.0001714883,0.0002144233,0.0002469057,0.0002343122,0.0007101335,0.0004302408],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009103045,"about_ca_system_score_gemma":0.0008330438,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001321711,"about_ca_topic_score_gemma":0.005207658,"domain_scores_codex":[0.999926,0.00001056516,0.000004435119,0.00001274096,0.00002302685,0.00002331784],"domain_scores_gemma":[0.9999592,0.000005332797,0.00001165858,0.000002766993,0.00000821142,0.00001279164],"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":[0.001302329,0.001348788,0.0006889515,0.0004098699,0.0001285239,0.0004165846,0.00008477226,0.05336243,0.8947241,0.006722462,0.002257917,0.03855323],"study_design_scores_gemma":[0.002913632,0.009753969,0.002349697,0.0001032801,0.0004041677,0.0008305426,0.0001105548,0.1018279,0.8331468,0.002044284,0.04640256,0.0001127511],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9504123,0.008281915,0.025811,0.0008404393,0.0001635022,0.001206779,0.00155663,0.000525619,0.01120186],"genre_scores_gemma":[0.9681174,0.005198461,0.01934252,0.0002668844,0.00001870211,0.0003307138,0.001556026,0.00003458621,0.005134783],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001842777,"threshold_uncertainty_score":0.006604791,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03772868991776979,"score_gpt":0.3144137708901548,"score_spread":0.276685080972385,"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."}}