{"id":"W2558077757","doi":"10.1021/jacs.6b10399","title":"Structural Insight into NS5 of Zika Virus Leading to the Discovery of MTase Inhibitors","year":2016,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Mosquito-borne diseases and control","field":"Medicine","cited_by":55,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"Canadian Institutes of Health Research; Fondation CHU de Québec","keywords":"Zika virus; Druggability; Chemistry; Flavivirus; Virtual screening; Virology; RNA; Drug discovery; Methyltransferase; Antiviral drug; Docking (animal); Virus; Viral replication; RNA-dependent RNA polymerase; Computational biology; Polymerase; Enzyme; Biology; Biochemistry; Methylation","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":[0.000183232,0.0001225906,0.000501901,0.00001675571,0.00004502848,0.000009867777,0.0003321975,0.00003313546,0.00002137724],"category_scores_gemma":[0.0003145094,0.00004786479,0.0008429302,0.0002637875,0.0004353323,0.00009455079,0.0001345159,0.0002064754,0.000001195107],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001295227,"about_ca_system_score_gemma":0.0001318956,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001016392,"about_ca_topic_score_gemma":0.000002253237,"domain_scores_codex":[0.9987154,0.0000449812,0.0004896598,0.0001110674,0.0004611342,0.0001777391],"domain_scores_gemma":[0.9984806,0.0001755471,0.0007517355,0.0002959795,0.0001583323,0.0001378326],"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":[0.0004469919,0.0000550629,0.006118476,0.00002661334,0.0002099234,0.000001752843,0.0007542018,0.00000559409,0.9748656,0.00002276644,0.007118012,0.01037497],"study_design_scores_gemma":[0.001528432,0.0004170234,0.01491839,0.0004053394,0.0004244142,0.00003772309,0.001153351,0.00005211214,0.9774277,0.0001800582,0.003324409,0.0001310634],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.989959,0.0003824452,0.0001548205,0.009190696,0.0001402169,0.0001147592,0.00002112021,0.000003216177,0.00003374322],"genre_scores_gemma":[0.997257,0.00007327714,0.0003300682,0.001735912,0.000516835,0.000001791036,4.262445e-7,0.00001288536,0.00007178319],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01024391,"threshold_uncertainty_score":0.1951869,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007653097477351731,"score_gpt":0.2636503306246289,"score_spread":0.2559972331472772,"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."}}