{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008097471,0.0001125593,0.0001938683,0.000116676,0.0002162896,0.00001255754,0.0001897835,0.00006633377,0.0001278874],"category_scores_gemma":[0.0001511888,0.0000863301,0.00004351841,0.000708134,0.001051938,0.0001040798,0.00004268118,0.0001616108,0.000001075305],"about_ca_system_candidate":true,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004469307,"about_ca_system_score_gemma":0.007215683,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000115378,"about_ca_topic_score_gemma":0.00005078306,"domain_scores_codex":[0.9983364,0.0001184628,0.000332031,0.0003339715,0.0006070141,0.0002720821],"domain_scores_gemma":[0.998744,0.0004394659,0.0001081901,0.0001502619,0.0004526836,0.0001054439],"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":[0.00009039049,0.00005795241,0.001416024,0.0000784098,0.00003232418,0.00001724923,0.0004064445,0.01295497,0.9840459,0.0000968406,0.0001629911,0.0006404607],"study_design_scores_gemma":[0.003715065,0.00007594094,0.001072458,0.00001832199,0.00008972727,0.0000443629,0.00003831825,0.139591,0.8551651,0.00007117255,0.00005400586,0.00006455931],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9933558,0.0009362698,0.00272217,0.002317661,0.0001463396,0.0004388777,0.00001633942,0.000009296354,0.00005727563],"genre_scores_gemma":[0.9965445,0.00003227067,0.002951308,0.0003047921,0.00009735707,0.00001324713,0.00003132623,0.000009140824,0.00001601003],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1288808,"threshold_uncertainty_score":0.9984125,"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."}}