{"id":"W2024976409","doi":"10.1371/journal.pone.0028589","title":"The Plasmodium falciparum Malaria M1 Alanyl Aminopeptidase (PfA-M1): Insights of Catalytic Mechanism and Function from MD Simulations","year":2011,"lang":"en","type":"article","venue":"PLoS ONE","topic":"Malaria Research and Control","field":"Medicine","cited_by":32,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Canadian Institutes of Health Research","keywords":"Plasmodium falciparum; Biochemistry; Biology; Proteases; Aminopeptidase; Amino acid; Enzyme; Active site; Protein structure; Peptide; Malaria; Chemistry; Leucine","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":[0.0001287924,0.0001344638,0.0002834133,0.00009167561,0.0001592838,0.00002431514,0.0001078202,0.0001012074,0.0002690837],"category_scores_gemma":[0.0002388902,0.00009302104,0.0000471264,0.0001148243,0.00009411703,0.0001091156,0.00007181781,0.0002217797,0.00006017848],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002738808,"about_ca_system_score_gemma":0.00008342776,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005313387,"about_ca_topic_score_gemma":0.0002456576,"domain_scores_codex":[0.9987505,0.00006679673,0.0002597549,0.0002358767,0.0004259892,0.0002610866],"domain_scores_gemma":[0.9988635,0.0002385249,0.00009024989,0.0004310473,0.0001762203,0.0002004346],"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":[0.006733654,0.005052035,0.01061696,0.0003493819,0.003992566,0.00009235372,0.003117382,0.000005991107,0.859821,0.1071791,0.0007150306,0.002324631],"study_design_scores_gemma":[0.01563163,0.004403927,0.3027735,0.0007743673,0.00386599,0.00001114029,0.0009298428,0.06258821,0.5448044,0.062877,0.0006387689,0.0007011876],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9945844,0.0005203518,0.0005583361,0.0009111678,0.00005285072,0.0008073986,0.00007117436,0.00004503961,0.002449211],"genre_scores_gemma":[0.9980208,0.00009554113,0.0003491718,0.0001004398,0.0001122773,0.00004709151,0.00008267722,0.00001961061,0.001172393],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3150165,"threshold_uncertainty_score":0.3793288,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05332244661225401,"score_gpt":0.2338986854869667,"score_spread":0.1805762388747127,"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."}}