{"id":"W2983327530","doi":"10.1126/science.aaw4388","title":"Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility","year":2019,"lang":"en","type":"article","venue":"Science","topic":"Microbial Natural Products and Biosynthesis","field":"Medicine","cited_by":134,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Nonribosomal peptide; Biosynthesis; Modular design; Enzyme; Peptide; Flexibility (engineering); Chemistry; Stereochemistry; Biochemistry; Computer science","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005363406,0.00007311918,0.0001646666,0.00007731404,0.0000606634,0.00001462184,0.0001738015,0.0000317488,0.0005037754],"category_scores_gemma":[0.0004104688,0.00004770289,0.00005102064,0.0002887098,0.0004520142,0.00021044,0.00006488999,0.0000904171,0.00004920454],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003506774,"about_ca_system_score_gemma":0.0002280632,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001997184,"about_ca_topic_score_gemma":0.000001177669,"domain_scores_codex":[0.9989793,0.00001249214,0.0001929371,0.0002418441,0.0003970024,0.0001764105],"domain_scores_gemma":[0.9992701,0.00002929607,0.00007977503,0.0003301026,0.0002114833,0.00007917852],"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":[0.00007080292,0.00002699153,0.002839753,0.00008638543,0.000005053146,0.000001061185,0.00008190028,0.000008413186,0.9933627,0.0011677,0.0001322075,0.002217047],"study_design_scores_gemma":[0.0002539038,0.0001160364,0.1198038,0.00005630175,0.00001422069,0.00004265199,0.00005304893,0.0002556993,0.876584,0.0004684155,0.00226502,0.00008694042],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9967664,0.00006176176,0.000007003955,0.0005799638,0.0001685364,0.000245821,0.00003144624,0.00001381996,0.00212524],"genre_scores_gemma":[0.9972966,0.000002266412,0.001834908,0.0002049478,0.00004765843,1.826586e-7,0.000005404912,0.000002543137,0.0006054519],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.116964,"threshold_uncertainty_score":0.5515987,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01329442034614014,"score_gpt":0.2689944533723702,"score_spread":0.25570003302623,"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."}}