{"id":"W2908613645","doi":"10.1371/journal.pone.0210100","title":"Holistic engineering of Cal-A lipase chain-length selectivity identifies triglyceride binding hot-spot","year":2019,"lang":"en","type":"article","venue":"PLoS ONE","topic":"Enzyme Catalysis and Immobilization","field":"Biochemistry, Genetics and Molecular Biology","cited_by":22,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal; PROTEO; Centre in Green Chemistry and Catalysis","funders":"Fonds Québécois de la Recherche sur la Nature et les Technologies; Canada Foundation for Innovation; Centre in Green Chemistry and Catalysis; Natural Sciences and Engineering Research Council of Canada; McGill University","keywords":"Tributyrin; Protein engineering; Lipase; Computational biology; Triglyceride; Saturated mutagenesis; Biochemistry; Adipose triglyceride lipase; Gene; Chemistry; Biology; Enzyme","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":[0.0003043326,0.0004529458,0.0004614013,0.0002999067,0.0001758124,0.0005910768,0.0004750852,0.0003733503,0.000869063],"category_scores_gemma":[0.0003243054,0.0002067721,0.0003860841,0.0002810206,0.0003874361,0.0002133608,0.0006294043,0.0006643419,0.0004337245],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004598972,"about_ca_system_score_gemma":0.0003794363,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005552619,"about_ca_topic_score_gemma":0.001100457,"domain_scores_codex":[0.9997104,0.00003581833,0.00002287176,0.00008634543,0.00009425198,0.00005030349],"domain_scores_gemma":[0.9998091,0.00004210707,0.00005499591,0.00003554879,0.00002625867,0.00003213625],"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":[0.00003323092,0.00002115241,0.0001241162,0.0000152226,0.000004337273,0.00003741566,0.000007826549,0.0003780524,0.9975227,0.0001848303,0.00001950174,0.00165173],"study_design_scores_gemma":[0.000006813858,0.00008730518,0.0004596722,0.000002472275,0.000009606762,0.0001227554,0.00001129382,0.003936685,0.9943826,0.00006919884,0.0009050606,0.000006517275],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9357138,0.0003441975,0.0606273,0.0001745093,0.00003889465,0.0001199778,0.0002948435,0.0004695899,0.002216697],"genre_scores_gemma":[0.959758,0.000402024,0.03665711,0.00009288765,0.000007527935,0.00005699548,0.0004277647,0.0001195429,0.002478067],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.000869063,"threshold_uncertainty_score":0.003336787,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02198673258844587,"score_gpt":0.2231656781011982,"score_spread":0.2011789455127523,"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."}}