{"id":"W6903378649","doi":"10.1021/jp408486n.s001","title":"A Molecular\\nDynamics Examination on Mutation-Induced\\nCatalase Activity in Coral Allene Oxide Synthase","year":2016,"lang":"en","type":"article","venue":"Figshare","topic":"Metal-Catalyzed Oxygenation Mechanisms","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"","keywords":"Catalase; Active site; Mutant; Heme; Hydrogen peroxide; Enzyme; Substrate (aquarium); ATP synthase","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":[0.00005600331,0.0001687071,0.0001311362,0.00006920216,0.0001832977,0.0001435792,0.0002265935,0.0001878579,0.00160124],"category_scores_gemma":[0.0001154768,0.0001035812,0.0002099207,0.00009003451,0.0001240986,0.0002183447,0.0001247259,0.0003997272,0.0001279796],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002201976,"about_ca_system_score_gemma":0.0001676964,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00211353,"about_ca_topic_score_gemma":0.001719742,"domain_scores_codex":[0.9999739,0.000001830709,0.000001912363,0.000006555471,0.000007877563,0.000007897737],"domain_scores_gemma":[0.9999689,0.000006188407,0.000006708221,0.000003420984,0.000006307369,0.00000846729],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001879289,0.0001794982,0.002379338,0.0001596904,0.00003821731,0.0002614512,0.0001089276,0.007591242,0.9814405,0.001520252,0.0005152005,0.005617674],"study_design_scores_gemma":[0.00007866,0.0006935068,0.02438862,0.00003182771,0.00006301899,0.0002211598,0.0002473178,0.1988351,0.7686902,0.000752964,0.005925303,0.00007245877],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9966323,0.0003782949,0.001178631,0.0001498066,0.00002402781,0.00000867727,0.0002185869,0.0000531785,0.001356532],"genre_scores_gemma":[0.9976144,0.0003784522,0.0009696158,0.00002706677,0.00000218266,0.00001262794,0.0002618358,0.00001570548,0.0007182466],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00211353,"threshold_uncertainty_score":0.005356729,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03417073474411818,"score_gpt":0.2661881649090553,"score_spread":0.2320174301649371,"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."}}