{"id":"W3088839031","doi":"10.1021/acsinfecdis.0c00566","title":"Structural Basis for Inhibitor Potency and Selectivity of <i>Plasmodium falciparum</i> Phosphatidylinositol 4-Kinase Inhibitors","year":2020,"lang":"en","type":"article","venue":"ACS Infectious Diseases","topic":"Trypanosoma species research and implications","field":"Medicine","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"Canadian Institutes of Health Research; African Academy of Sciences; Medicines for Malaria Venture; Royal Society; South African Medical Research Council; National Research Foundation; Michael Smith Health Research BC","keywords":"Plasmodium falciparum; Homology modeling; Docking (animal); Kinase; Computational biology; Biology; Homology (biology); Drug discovery; Structural similarity; Biochemistry; Pharmacology; Enzyme; Gene; Malaria; Medicine","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":[0.0002455719,0.0002220284,0.0003296775,0.0001657681,0.000177396,0.0003366741,0.0003674483,0.0002031701,0.002561716],"category_scores_gemma":[0.000470721,0.0001433444,0.000197748,0.000123025,0.0002650394,0.0002050364,0.0001527748,0.0002819074,0.0004505765],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003632478,"about_ca_system_score_gemma":0.0003250783,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001153935,"about_ca_topic_score_gemma":0.0008325086,"domain_scores_codex":[0.9998404,0.00003165941,0.00001338699,0.00002472905,0.00005404829,0.00003582469],"domain_scores_gemma":[0.999842,0.00005780976,0.00003959868,0.000008589262,0.0000297614,0.00002220516],"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":[0.002145328,0.0001938148,0.006544486,0.0002496166,0.00007590788,0.0002943167,0.00005089836,0.03735648,0.9295899,0.004695822,0.001109031,0.01769443],"study_design_scores_gemma":[0.0003385116,0.00231327,0.01620166,0.00002877901,0.0001761362,0.0009135303,0.00007888093,0.0762108,0.895777,0.002194242,0.005717823,0.00004944704],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9836616,0.00200856,0.005480532,0.0002653476,0.00002306179,0.00004989281,0.0005067249,0.0001645897,0.007839669],"genre_scores_gemma":[0.9989139,0.0002159401,0.0004715214,0.00003596192,0.000002952537,0.000005555538,0.0001738447,0.000007122196,0.0001731663],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002561716,"threshold_uncertainty_score":0.008569777,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0180647214191628,"score_gpt":0.2814795410577838,"score_spread":0.263414819638621,"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."}}