{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004374848,0.0009400375,0.001164189,0.0005653123,0.001112471,0.0006797008,0.001255109,0.001627485,0.003161669],"category_scores_gemma":[0.001341511,0.0005924891,0.0007816397,0.0006510541,0.0007425528,0.0008319617,0.0006868054,0.001263725,0.0003527199],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001196291,"about_ca_system_score_gemma":0.002003496,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02002596,"about_ca_topic_score_gemma":0.01617214,"domain_scores_codex":[0.9998429,0.00004117709,0.000007304781,0.00002060382,0.00004516251,0.00004281594],"domain_scores_gemma":[0.9994417,0.0002933961,0.00004083344,0.00002716234,0.00009684887,0.0001000355],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002184482,0.0001755562,0.003247432,0.0001556426,0.00009596045,0.0002285354,0.0001004297,0.9853081,0.002362249,0.003741245,0.001585951,0.002780404],"study_design_scores_gemma":[0.00006869814,0.00005313894,0.0008436194,0.00001946534,0.0000174038,0.00001540326,0.00004480247,0.996669,0.0003602188,0.001027521,0.0008692793,0.00001154519],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9602479,0.001413444,0.01409248,0.001235937,0.0001195319,0.0001277495,0.002595352,0.0003565583,0.019811],"genre_scores_gemma":[0.9777722,0.001179448,0.01496594,0.0002433761,0.00004463871,0.0004209922,0.002949665,0.0001872363,0.002236398],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02002596,"threshold_uncertainty_score":0.03981882,"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."}}