{"id":"W1995307921","doi":"10.1016/j.jmb.2010.01.075","title":"Structural Basis of Human CYP51 Inhibition by Antifungal Azoles","year":2010,"lang":"en","type":"article","venue":"Journal of Molecular Biology","topic":"Pharmacogenetics and Drug Metabolism","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":266,"is_retracted":false,"has_abstract":false,"ca_institutions":"Canada Research Chairs; Structural Genomics Consortium; University of Toronto","funders":"Knut och Alice Wallenbergs Stiftelse; Ontario Ministry of Research and Innovation; Stiftelsen för Strategisk Forskning; Karolinska Institutet; Stiftelsen för Strategisk Forskning; Ontario Genomics Institute; Canadian Institutes of Health Research; Genome Canada; Ontario Innovation Trust; Wellcome Trust; GlaxoSmithKline","keywords":"Azole; Sterol; Ergosterol; Lanosterol; Active site; Ketoconazole; Demethylase; Chemistry; Ligand (biochemistry); Econazole; Biochemistry; Enzyme; Stereochemistry; Binding site; Biology; Receptor; Antifungal; Cholesterol; Gene","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":[0.0007313902,0.0001778952,0.0003959102,0.0001859177,0.00009990433,0.000008182498,0.0002734963,0.0003809785,0.0008277257],"category_scores_gemma":[0.00008022582,0.0001504243,0.0002177087,0.0001232835,0.0003242592,0.00006858209,0.00006930629,0.001050239,0.000006204195],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001033318,"about_ca_system_score_gemma":0.00006769491,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007543541,"about_ca_topic_score_gemma":0.000003169348,"domain_scores_codex":[0.9983863,0.0003974445,0.0006464791,0.0001551671,0.0001296969,0.0002849121],"domain_scores_gemma":[0.9987072,0.00008304065,0.0006119474,0.0001306207,0.0002701865,0.0001969901],"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":[0.0001131886,0.0001087392,0.005706529,0.0000137724,0.0001787488,0.00004177619,0.00007360094,0.00002781896,0.9825494,0.00288032,0.001394836,0.006911276],"study_design_scores_gemma":[0.001674558,0.000233005,0.001635717,0.000005464191,0.0001800451,0.0001739613,0.00001824516,0.00007552998,0.9746371,0.003532948,0.01768532,0.0001480957],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9948317,0.001706201,0.0002984475,0.0004216182,0.001824243,0.0000944837,0.00009859132,0.000007998855,0.0007166935],"genre_scores_gemma":[0.9980949,0.0002002844,0.00051037,0.0007835351,0.0003373837,0.000001792408,0.00002599562,0.00001712621,0.00002861173],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01629049,"threshold_uncertainty_score":0.9063016,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04465020308208338,"score_gpt":0.4313588159797958,"score_spread":0.3867086128977124,"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."}}