{"id":"W3036834463","doi":"10.1021/jacs.0c04023","title":"A Stable Ferryl Porphyrin at the Active Site of Y463M BthA","year":2020,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Metal-Catalyzed Oxygenation Mechanisms","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institutes of Health; National Institute of General Medical Sciences; Canadian Institute for Advanced Research; Environmental Solutions Initiative, Massachusetts Institute of Technology; Howard Hughes Medical Institute","keywords":"Chemistry; Porphyrin; Heme; Peroxidase; Cytochrome c peroxidase; Hemeprotein; Ligand (biochemistry); Photochemistry; Electron transfer; Enzyme; Cytochrome c; Stereochemistry; Combinatorial chemistry; Biochemistry; Receptor; Mitochondrion","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001043767,0.0001503357,0.0001645782,0.00007032606,0.0001775199,0.0001895845,0.0002034314,0.0003785893,0.0007384198],"category_scores_gemma":[0.0001558653,0.0001054298,0.0001373777,0.0001340771,0.0002027939,0.0001781067,0.0001832021,0.0004920168,0.0004161928],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002890137,"about_ca_system_score_gemma":0.0001318307,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006600737,"about_ca_topic_score_gemma":0.0003528857,"domain_scores_codex":[0.999922,0.00001352218,0.000004337712,0.00001662395,0.00002222454,0.00002138851],"domain_scores_gemma":[0.9999241,0.000009967339,0.00002051021,0.000009142935,0.000007617644,0.00002872079],"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":[0.00005975935,0.0000172709,0.0001263731,0.00001031523,0.000002832249,0.00008791607,0.00002225904,0.00007766005,0.9985349,0.0001601581,0.00003957438,0.0008610055],"study_design_scores_gemma":[0.00001580167,0.000154849,0.00206178,0.000002705028,0.000003079512,0.0002499162,0.0000223974,0.00094652,0.9947877,0.00005779746,0.001692363,0.00000513334],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9961754,0.000166688,0.002745885,0.00006721343,0.00001621231,0.00001178172,0.0001061235,0.00003893771,0.000671719],"genre_scores_gemma":[0.9963359,0.00006977981,0.001285471,0.00002275303,0.000003707234,0.000006852631,0.0001526821,0.00002932058,0.00209359],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007384198,"threshold_uncertainty_score":0.002470255,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01779257131561918,"score_gpt":0.246968796767097,"score_spread":0.2291762254514778,"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."}}