{"id":"W2075060531","doi":"10.1016/j.bbrc.2012.08.136","title":"Modeling the Zn2+ and Cd2+ metalation mechanism in mammalian metallothionein 1a","year":2012,"lang":"en","type":"article","venue":"Biochemical and Biophysical Research Communications","topic":"Trace Elements in Health","field":"Nursing","cited_by":17,"is_retracted":false,"has_abstract":false,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Metalation; Chemistry; Metallothionein; Electrospray ionization; Stereochemistry; Cysteine; Mass spectrometry; Zinc; Biochemistry; Enzyme; Chromatography; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001904518,0.0002742815,0.0003662893,0.0001964732,0.0004100597,0.0004507994,0.0009809867,0.0008722204,0.003614758],"category_scores_gemma":[0.0004017806,0.0002196514,0.0003588628,0.0002523385,0.0002633156,0.0004158088,0.000208269,0.0003314717,0.0002971213],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001214127,"about_ca_system_score_gemma":0.001088616,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02262282,"about_ca_topic_score_gemma":0.01285195,"domain_scores_codex":[0.9999464,0.00001050716,0.000002215549,0.0000139576,0.0000118176,0.00001512135],"domain_scores_gemma":[0.9998814,0.00006776525,0.00001537154,0.000005857062,0.00001812616,0.00001148518],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002018501,0.0001145907,0.002544188,0.0001214875,0.00002371304,0.0002590033,0.0001437373,0.950049,0.02484851,0.01764594,0.0005406439,0.003507302],"study_design_scores_gemma":[0.00003056184,0.00003187222,0.0004254139,0.000003738732,0.000007557217,0.00001854003,0.00004645202,0.9946294,0.002653532,0.001555846,0.0005904276,0.000006730572],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9673249,0.0003150473,0.01840994,0.0006111896,0.00003695247,0.00003153992,0.0003867028,0.0001530598,0.01273079],"genre_scores_gemma":[0.9917745,0.0002164403,0.004671045,0.00004145855,0.000005259561,0.00002651094,0.0001392563,0.00002716081,0.003098504],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02262282,"threshold_uncertainty_score":0.04498231,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1694815778534527,"score_gpt":0.4281976601712092,"score_spread":0.2587160823177566,"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."}}