{"id":"W2209144082","doi":"10.1016/j.jinorgbio.2015.12.019","title":"The use of isomeric testosterone dimers to explore allosteric effects in substrate binding to cytochrome P450 CYP3A4","year":2015,"lang":"en","type":"article","venue":"Journal of Inorganic Biochemistry","topic":"Pharmacogenetics and Drug Metabolism","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":33,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université du Québec à Trois-Rivières","funders":"National Institute of General Medical Sciences; Fonds de recherche du Québec – Nature et technologies; National Institutes of Health","keywords":"Chemistry; Allosteric regulation; Binding site; Resonance Raman spectroscopy; Dimer; Stereochemistry; Substrate (aquarium); Allosteric enzyme; Molecule; CYP3A4; Plasma protein binding; Cytochrome P450; Monomer; Biophysics; Enzyme; Raman spectroscopy; Biochemistry; Polymer; Organic chemistry","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":[0.0009418942,0.0002602045,0.0004577461,0.0001918739,0.00008222551,0.00004137015,0.0005940332,0.0002158431,0.00004185869],"category_scores_gemma":[0.000587934,0.0002021302,0.0001115291,0.0007487534,0.0001110123,0.0001157316,0.0002014488,0.0007482918,0.00004118804],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001584665,"about_ca_system_score_gemma":0.0003040899,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006923345,"about_ca_topic_score_gemma":0.000002254906,"domain_scores_codex":[0.9979166,0.0002378979,0.000815703,0.0002170658,0.0003357093,0.0004770588],"domain_scores_gemma":[0.9978215,0.0004474103,0.000478536,0.0002469384,0.0002846821,0.0007209263],"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":[0.0005268175,0.0001885698,0.002821172,0.00005841236,0.0001358129,0.0001103687,0.001206743,0.0006058945,0.9870187,0.000002274483,0.003686752,0.00363845],"study_design_scores_gemma":[0.001894031,0.000310299,0.003822725,0.00008299155,0.0001293696,0.0001958768,0.0004564828,0.00005670001,0.976247,0.00002548501,0.01654501,0.0002340869],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9953909,0.002257917,0.00005496223,0.001036813,0.000891233,0.0002706722,0.00001618339,0.000009613193,0.00007173145],"genre_scores_gemma":[0.9973264,0.000394314,0.000633974,0.001116272,0.0002966763,0.00001240091,0.000002669595,0.00003332524,0.0001839125],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01285825,"threshold_uncertainty_score":0.824263,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1980805068297584,"score_gpt":0.4033312502316051,"score_spread":0.2052507434018467,"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."}}