{"id":"W2062585832","doi":"10.1021/bi2018514","title":"Structure of Mandelate Racemase with Bound Intermediate Analogues Benzohydroxamate and Cupferron","year":2012,"lang":"en","type":"article","venue":"Biochemistry","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"National Institute of General Medical Sciences","keywords":"Chemistry; Stereochemistry; Transition state analog; Ring (chemistry); Substrate (aquarium); Enantiomer; Pseudomonas putida; Active site; Carboxylate; Divalent; Chelation; Hydrolase; Isomerase; Crystallography; Phosphonate; Catalysis; Enzyme; Biochemistry","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":[0.00006416486,0.0003595693,0.0003982251,0.00009913429,0.0002466814,0.0003761334,0.0005152539,0.0004331568,0.001265321],"category_scores_gemma":[0.0001498545,0.0001828728,0.000259492,0.0001491977,0.0001881288,0.0002347671,0.0001555298,0.0005411096,0.0002512543],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009697806,"about_ca_system_score_gemma":0.0002427507,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004149119,"about_ca_topic_score_gemma":0.002700072,"domain_scores_codex":[0.999931,0.000009674794,0.000002693941,0.00001727873,0.00001972598,0.00001963438],"domain_scores_gemma":[0.9999297,0.00001062139,0.00001905209,0.000004624174,0.0000134096,0.00002263912],"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":[0.0008898472,0.0001060837,0.001938149,0.00009277148,0.00004647915,0.0005660792,0.0001334212,0.003467908,0.9890763,0.0008930399,0.0002565126,0.002533495],"study_design_scores_gemma":[0.0002502152,0.001704353,0.0415104,0.0000312399,0.0001039763,0.001313684,0.0003446786,0.02980196,0.9131444,0.0004625968,0.01125223,0.00008029272],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975287,0.0004366222,0.0007305309,0.00006457281,0.000006416285,0.00000998914,0.0001889551,0.00004108226,0.0009931823],"genre_scores_gemma":[0.9968075,0.0002213045,0.0007956511,0.00003019777,0.000003350009,0.000007371824,0.001081179,0.00001265058,0.001040964],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004149119,"threshold_uncertainty_score":0.008249938,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004962273686278044,"score_gpt":0.2083008730189145,"score_spread":0.2033385993326364,"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."}}