{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00001331304,0.0001920073,0.0003544251,0.00009118747,0.0002084623,0.00003723441,0.00007816573,0.00008158403,0.0000464745],"category_scores_gemma":[0.001274587,0.0001722071,0.0001469521,0.0004000152,0.0001904462,0.0001965958,0.0000816486,0.0001486722,0.000005628452],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006561987,"about_ca_system_score_gemma":0.0002381325,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00008162518,"about_ca_topic_score_gemma":0.00001299038,"domain_scores_codex":[0.9987178,0.00003632707,0.0002868261,0.0003663257,0.0002686761,0.0003239783],"domain_scores_gemma":[0.9986231,0.000226146,0.0001088331,0.0002216609,0.0002930015,0.0005272428],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"observational","study_design_gemma":"observational","study_design_scores_codex":[0.001252253,0.0007457281,0.6332771,0.001407439,0.0003589819,0.00001753095,0.0005081772,0.00002341393,0.2985766,0.001243796,0.0309345,0.03165443],"study_design_scores_gemma":[0.003457521,0.002357269,0.7621241,0.00009027425,0.0003560213,0.00004429238,0.0001351256,0.0004434939,0.2249366,0.0006009992,0.005112899,0.0003414486],"study_design_candidate":"observational","study_design_consensus":"observational","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9944658,0.0007998981,0.0001604643,0.002265411,0.0001040853,0.00101585,0.0005805779,0.0001408736,0.0004670249],"genre_scores_gemma":[0.9985617,0.00009619822,0.000137623,0.0005306607,0.0003913103,0.0001375671,0.00006567609,0.00002895208,0.00005028461],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.128847,"threshold_uncertainty_score":0.7022402,"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."}}