{"id":"W2542763137","doi":"10.1021/acsinfecdis.6b00078","title":"Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the <i>Plasmodium falciparum</i> Drug Target, Prolyl-tRNA-synthetase","year":2016,"lang":"en","type":"article","venue":"ACS Infectious Diseases","topic":"RNA and protein synthesis mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":56,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium","funders":"National Institute of Allergy and Infectious Diseases; National Health and Medical Research Council; Wellcome Trust; Wellcome","keywords":"Allosteric regulation; Plasmodium falciparum; Enzyme; Biochemistry; Drug; Drug discovery; DHPS; Chemistry; Biology; Structural biology; Active site; Malaria; Stereochemistry; Computational biology; Pharmacology","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0000631607,0.0001550242,0.0001731967,0.00003282829,0.0000686416,0.000009378432,0.0001301825,0.00008905437,0.0000128566],"category_scores_gemma":[0.0001819843,0.00009338423,0.00009492545,0.00009383498,0.0001856274,0.00001186101,0.0001033357,0.00003330844,8.790548e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001129515,"about_ca_system_score_gemma":0.00006180138,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001049128,"about_ca_topic_score_gemma":0.000002911891,"domain_scores_codex":[0.9991356,0.0001054096,0.0002205896,0.0002529349,0.0001308919,0.0001545627],"domain_scores_gemma":[0.9993312,0.00003090863,0.0002218077,0.0002521821,0.0001001641,0.00006369271],"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":[0.0001019912,0.00004946401,0.03667691,0.0000411501,0.00005539779,2.478486e-7,0.0000300859,8.44364e-7,0.9612238,0.00003957902,0.00009492939,0.001685654],"study_design_scores_gemma":[0.0003584172,0.0001233103,0.01538897,0.0000526566,0.00004970915,0.000009029563,0.000007994798,0.000002046669,0.9832051,0.0004042862,0.0002681129,0.0001303937],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9987033,0.0002712166,0.0001617133,0.00009421396,0.0001532843,0.0003130516,0.0002280885,0.00001261792,0.00006253711],"genre_scores_gemma":[0.9995657,0.00009979336,0.00002174225,0.00005906833,0.0000953373,0.00004419655,0.00002909247,0.00001857701,0.00006653383],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02198132,"threshold_uncertainty_score":0.3808098,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003800480205739221,"score_gpt":0.2010122331049336,"score_spread":0.1972117528991944,"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."}}