{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007589334,0.0001338495,0.0001529556,0.00002453427,0.00005199842,0.0000253109,0.00007897767,0.0001016538,0.0002236261],"category_scores_gemma":[0.00001557367,0.00009637026,0.00001957924,0.00006217311,0.0001634235,0.0001543184,0.0000484704,0.00007664503,0.000004662163],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001596668,"about_ca_system_score_gemma":0.00001914724,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001615612,"about_ca_topic_score_gemma":0.000006814939,"domain_scores_codex":[0.9993168,0.00001379879,0.0001479044,0.0001753727,0.000131786,0.0002143526],"domain_scores_gemma":[0.9995367,0.00001507808,0.0001184679,0.000196168,0.00003406294,0.00009954552],"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":[0.00007403328,0.00001096811,0.006821704,0.0001171354,0.00001055131,0.00000157353,0.0002006881,0.000001894433,0.9923763,0.00003129955,0.0002012163,0.00015262],"study_design_scores_gemma":[0.0002872419,0.00004223077,0.007450462,0.00003777379,0.00003524857,0.00004657141,0.00009580638,0.00001386536,0.9916337,0.0001285631,0.0001056344,0.0001229394],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9985191,0.0006901015,0.00004992813,0.00001518791,0.0002018661,0.00005113833,0.00006057259,0.00002899656,0.0003831569],"genre_scores_gemma":[0.9991665,0.0000161907,0.0003949188,0.00002821557,0.0001952934,0.000001664396,0.00004192588,0.00001104637,0.0001442345],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007426531,"threshold_uncertainty_score":0.3929865,"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."}}