{"id":"W2255764863","doi":"10.1021/jacs.5b12695","title":"Biomimetic Design Results in a Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase from <i>Campylobacter jejuni</i>","year":2016,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"National Research Council Canada; Western Economic Diversification Canada; Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research","keywords":"Chemistry; Campylobacter jejuni; Allosteric regulation; Campylobacter; Microbiology; Biochemistry; Stereochemistry; Enzyme; Bacteria; Genetics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00052092,0.0001417862,0.0003994607,0.00002559446,0.00003116951,0.00001797688,0.0004147124,0.00006334278,0.00003737599],"category_scores_gemma":[0.0002913034,0.00007018877,0.0003225447,0.0002955543,0.0004328926,0.0001344116,0.000129606,0.0001705071,0.00000602306],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001685805,"about_ca_system_score_gemma":0.00007208045,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007919746,"about_ca_topic_score_gemma":0.00000130111,"domain_scores_codex":[0.9984061,0.0001643876,0.0006524103,0.0001870803,0.0003617104,0.0002283843],"domain_scores_gemma":[0.9981005,0.0003640821,0.001072603,0.0002727932,0.0001028947,0.00008717961],"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":[0.0006181579,0.00008955585,0.0003225534,0.00000502379,0.00002464106,0.000002777138,0.0002185876,0.00001472795,0.9942105,0.000001270468,0.002777623,0.001714574],"study_design_scores_gemma":[0.001146868,0.0001872897,0.002263163,0.0001554098,0.00004544217,0.00001645248,0.00008669532,0.00002283039,0.9951779,0.000499966,0.000293557,0.0001043891],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964425,0.00005867975,0.001047619,0.001912058,0.0003698679,0.00008560182,0.00004905909,0.000007415732,0.00002718919],"genre_scores_gemma":[0.9933618,0.0000545743,0.005817522,0.000460561,0.0002714866,0.000001686115,4.99414e-7,0.00001175307,0.00002011941],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004769904,"threshold_uncertainty_score":0.2862215,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01151146680774045,"score_gpt":0.2264648988863682,"score_spread":0.2149534320786278,"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."}}