{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001695588,0.0003167001,0.0002912845,0.0001321463,0.0001204156,0.0001811826,0.000210711,0.0001532995,0.00068991],"category_scores_gemma":[0.0001948488,0.000132095,0.0001516157,0.0001472364,0.0001209002,0.0001122828,0.00008402119,0.0002726998,0.0002228689],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000293979,"about_ca_system_score_gemma":0.0002687951,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009553459,"about_ca_topic_score_gemma":0.00128502,"domain_scores_codex":[0.9999189,0.00001425044,0.000007230205,0.00001211552,0.00003289614,0.00001453064],"domain_scores_gemma":[0.9999368,0.0000116643,0.00001782856,0.000005010896,0.00001283236,0.00001569701],"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":[0.0002043542,0.0001082601,0.0007463623,0.00008947068,0.00001574136,0.00009880388,0.00002256175,0.001497975,0.9909379,0.0001345573,0.0001545189,0.005989522],"study_design_scores_gemma":[0.0001248346,0.001835194,0.005753641,0.00001037989,0.00005919804,0.0007490927,0.0000248568,0.002441202,0.9828031,0.00004520778,0.006143397,0.000009877918],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9916555,0.003539773,0.001490583,0.0001003199,0.00001167526,0.0000594229,0.0005363213,0.00005208471,0.002554215],"genre_scores_gemma":[0.9902548,0.002831941,0.003020195,0.00006911245,0.0000105715,0.00003146727,0.002059099,0.00001740911,0.00170536],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009553459,"threshold_uncertainty_score":0.002308011,"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."}}