{"id":"W2514468021","doi":"10.1016/j.bbapap.2016.08.015","title":"The role of conformational flexibility in Baeyer-Villiger monooxygenase catalysis and structure","year":2016,"lang":"en","type":"article","venue":"Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics","topic":"Enzyme Catalysis and Immobilization","field":"Biochemistry, Genetics and Molecular Biology","cited_by":23,"is_retracted":false,"has_abstract":false,"ca_institutions":"Centre in Green Chemistry and Catalysis; PROTEO; McGill University","funders":"Canadian Institutes of Health Research; National Institutes of Health; McGill University; Fonds Québécois de la Recherche sur la Nature et les Technologies; Biological and Environmental Research; Natural Sciences and Engineering Research Council of Canada","keywords":"Monooxygenase; Active site; Small-angle X-ray scattering; Enzyme; Chemistry; Mutant; Protein structure; Stereochemistry; Biochemistry; Physics; Cytochrome P450","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003114779,0.000273573,0.0001999479,0.000128031,0.0004638855,0.0006425995,0.0004060066,0.000411696,0.00162458],"category_scores_gemma":[0.000485431,0.0002356579,0.000214072,0.0001275062,0.0006432919,0.001144219,0.0003896618,0.0007002912,0.0003004015],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002650056,"about_ca_system_score_gemma":0.0001474836,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002107245,"about_ca_topic_score_gemma":0.000289047,"domain_scores_codex":[0.9999244,0.00001393135,0.000004343821,0.00002068084,0.00001413288,0.00002251885],"domain_scores_gemma":[0.9998289,0.00008208046,0.0000240448,0.00002729819,0.000009522339,0.00002800191],"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":[0.001128039,0.0001933189,0.006325749,0.0001848437,0.00007634808,0.0009257968,0.0005241258,0.01816034,0.9138272,0.02967572,0.0006162127,0.02836228],"study_design_scores_gemma":[0.0002436948,0.001773702,0.05540491,0.00009599362,0.000162911,0.002707434,0.001417372,0.1242976,0.7237921,0.08116361,0.008645959,0.000294792],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9939038,0.0009295134,0.003108124,0.0003740176,0.00002997532,0.000004050532,0.00003871082,0.00003445035,0.001577299],"genre_scores_gemma":[0.9992228,0.0002173538,0.0002431947,0.00002882216,0.000007615786,0.000002773401,0.00003649207,0.000005644528,0.0002353194],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00162458,"threshold_uncertainty_score":0.005434752,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004948958522472978,"score_gpt":0.2195529586969459,"score_spread":0.214604000174473,"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."}}