{"id":"W2030090535","doi":"10.1039/c4cc09412c","title":"Active site-directed proteomic probes for adenylation domains in nonribosomal peptide synthetases","year":2014,"lang":"en","type":"article","venue":"Chemical Communications","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":34,"is_retracted":false,"has_abstract":true,"ca_institutions":"Innovation Cluster (Canada)","funders":"National Institute of General Medical Sciences","keywords":"Nonribosomal peptide; Adenylylation; Peptide; Chemistry; Combinatorial chemistry; Substrate specificity; Biochemistry; Biology; Computational biology; Enzyme; Stereochemistry; Biosynthesis","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":[0.0002604962,0.0005268294,0.000213285,0.000234965,0.0001851657,0.0002584533,0.0004222782,0.0004271084,0.001188936],"category_scores_gemma":[0.0001982555,0.00025532,0.0002813771,0.0001948074,0.0002575093,0.0003446872,0.000305951,0.0007901012,0.0006193825],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002226621,"about_ca_system_score_gemma":0.0002243214,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001985634,"about_ca_topic_score_gemma":0.0004518474,"domain_scores_codex":[0.9998325,0.00003296663,0.000008315976,0.00003779664,0.00006221874,0.00002612086],"domain_scores_gemma":[0.999817,0.00006480901,0.00004327888,0.00001841762,0.00002592283,0.0000306758],"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":[0.00001548478,0.000007603125,0.00002465335,0.00002586839,0.000001746394,0.00002309834,0.000007156343,0.00003847243,0.9988733,0.0001855028,0.00003126633,0.0007658173],"study_design_scores_gemma":[0.000005257471,0.00006702021,0.0002441239,0.000001589849,0.000002615144,0.0001180911,0.000006233791,0.0004363907,0.9976457,0.0000963332,0.001372967,0.000003623158],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6992561,0.003213615,0.2901911,0.0005193315,0.0001951148,0.0002037783,0.0007371161,0.0008193793,0.004864519],"genre_scores_gemma":[0.8330979,0.002869214,0.1564022,0.0003925019,0.00008441231,0.0002460769,0.000892179,0.00009936529,0.005916258],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001188936,"threshold_uncertainty_score":0.003977358,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01358817750108042,"score_gpt":0.2668801446883513,"score_spread":0.2532919671872708,"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."}}