{"id":"W4409284753","doi":"10.1126/sciadv.adu7447","title":"Identifying and controlling inactive and active conformations of a serine protease","year":2025,"lang":"en","type":"article","venue":"Science Advances","topic":"Cellular transport and secretion","field":"Biochemistry, Genetics and Molecular Biology","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"National Institute of General Medical Sciences","keywords":"Proteases; Serine protease; Serine; Active site; Protease; Enzyme; Function (biology); Chemistry; Biochemistry; Biophysics; Computational biology; Biology; Cell biology","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0004289048,0.0002163781,0.0002162247,0.0001760676,0.0002689878,0.0007811539,0.0003386792,0.0002854197,0.0005510495],"category_scores_gemma":[0.0007225358,0.0001916552,0.0001192699,0.0001128025,0.0005863684,0.0004910225,0.0002638263,0.0005670646,0.000187733],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003823518,"about_ca_system_score_gemma":0.0002808355,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002387085,"about_ca_topic_score_gemma":0.0004001315,"domain_scores_codex":[0.9997862,0.00004044149,0.00001949589,0.00007733502,0.00005541082,0.00002108928],"domain_scores_gemma":[0.9996667,0.0001014374,0.0001028927,0.00004392243,0.00002761794,0.00005751956],"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":[0.0001112002,0.00002300153,0.0005834575,0.00002158372,0.000004128504,0.00002910457,0.00003169876,0.000444244,0.993555,0.00097172,0.00004114384,0.004183696],"study_design_scores_gemma":[0.00003487869,0.0001878277,0.001963716,0.000006298174,0.00001336444,0.0001854521,0.00005237191,0.01084117,0.9835724,0.00101114,0.002112929,0.00001852782],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9874592,0.0005677107,0.01057741,0.0001352219,0.00002875226,0.00001262319,0.00005365281,0.0001022624,0.001063326],"genre_scores_gemma":[0.9943957,0.0002260551,0.004722503,0.00005251387,0.000008681137,0.000008218845,0.0000485868,0.00001877516,0.0005190303],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007811539,"threshold_uncertainty_score":0.002774119,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006449755064726903,"score_gpt":0.2735758877492606,"score_spread":0.2671261326845337,"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."}}