{"id":"W1991004420","doi":"10.1371/journal.pone.0007113","title":"Structural Basis for Substrate Specificity in Human Monomeric Carbonyl Reductases","year":2009,"lang":"en","type":"article","venue":"PLoS ONE","topic":"Aldose Reductase and Taurine","field":"Biochemistry, Genetics and Molecular Biology","cited_by":57,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Canadian Institutes of Health Research; Karolinska Institutet; Stiftelsen för Strategisk Forskning; Knut och Alice Wallenbergs Stiftelse; GlaxoSmithKline; Ontario Innovation Trust; Deutsche Forschungsgemeinschaft; Ontario Genomics Institute; Ontario Genomics; Genome Canada; Grantová Agentura České Republiky; Wellcome Trust","keywords":"Xenobiotic; Active site; Enzyme; Chemistry; Stereochemistry; Binding site; Reductase; Mutagenesis; Biochemistry; Substrate (aquarium); Docking (animal); Directed evolution; Saturated mutagenesis; Biology; Mutant; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0000547856,0.0001362423,0.0001887607,0.00004772384,0.00005724407,0.00001591334,0.0001155173,0.00007766215,0.00002782034],"category_scores_gemma":[0.00002920311,0.0001369236,0.00005977853,0.00008536835,0.00003724713,0.000004219705,0.00001860337,0.00006504815,0.000002033923],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001916514,"about_ca_system_score_gemma":0.00002852065,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000343718,"about_ca_topic_score_gemma":0.00002990445,"domain_scores_codex":[0.9991661,0.00001864167,0.0001896181,0.0002956916,0.00008655719,0.0002434049],"domain_scores_gemma":[0.9995911,0.000005560789,0.00005670871,0.0002456104,0.00004150697,0.00005954953],"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":[0.00007311701,0.0003016439,0.001893546,0.00001857791,0.00006136506,0.000004217098,0.00002155654,0.00001140343,0.9969918,0.0001307256,0.000105797,0.0003862886],"study_design_scores_gemma":[0.0004627298,0.0004174158,0.02238988,0.00002414475,0.00003817205,0.000003069086,0.00004038449,0.0000466224,0.9757047,0.0005402772,0.0001300497,0.0002025],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9981291,0.0006118052,0.000005751253,0.0001844687,0.00002039247,0.0002643787,0.00004978601,0.00001227077,0.0007220351],"genre_scores_gemma":[0.9980124,0.000106292,0.0009093814,0.00008014172,0.0003744109,0.00002069095,0.0002674241,0.00001358144,0.0002156779],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02128701,"threshold_uncertainty_score":0.5583583,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04129732399379113,"score_gpt":0.2547121974183421,"score_spread":0.213414873424551,"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."}}