{"id":"W2022132176","doi":"10.1021/ci400631n","title":"A Refined Model of the HCV NS5A Protein Bound to Daclatasvir Explains Drug-Resistant Mutations and Activity against Divergent Genotypes","year":2014,"lang":"en","type":"article","venue":"Journal of Chemical Information and Modeling","topic":"Hepatitis C virus research","field":"Medicine","cited_by":50,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Daclatasvir; NS5A; Hepatitis C virus; Virology; Genotype; Biology; Computational biology; Hepacivirus; Gene; Virus; Genetics; Ribavirin","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":[0.0001980469,0.0006077008,0.0009569005,0.0003681926,0.0009570855,0.0008339254,0.001645087,0.001735426,0.006274857],"category_scores_gemma":[0.0004186332,0.0005068644,0.001038815,0.0006110994,0.0009077889,0.0008326747,0.0006300993,0.0006076765,0.0007883639],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001200197,"about_ca_system_score_gemma":0.001434494,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.03052979,"about_ca_topic_score_gemma":0.01328829,"domain_scores_codex":[0.9998877,0.00003081867,0.00000425553,0.00001903424,0.00002361701,0.00003448848],"domain_scores_gemma":[0.9998716,0.00004672799,0.00001329117,0.00001522157,0.00002779102,0.00002526557],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001251249,0.00003650993,0.0006865291,0.00004517516,0.00002519953,0.0002768607,0.00006604382,0.9777696,0.004698481,0.01452701,0.0006135952,0.001129885],"study_design_scores_gemma":[0.00004912873,0.0000287867,0.0003598613,0.000005515287,0.00001031317,0.00002783177,0.00002212396,0.9953263,0.000253035,0.003051663,0.0008562624,0.000009072141],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7634076,0.001530924,0.1457953,0.002008944,0.0001915516,0.0001469864,0.00307855,0.0007565076,0.08308357],"genre_scores_gemma":[0.9701002,0.0006865378,0.017134,0.0002494891,0.00003966638,0.0002361363,0.001202902,0.0001712969,0.01017977],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03052979,"threshold_uncertainty_score":0.06070417,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03887470611222135,"score_gpt":0.2971967047860129,"score_spread":0.2583219986737916,"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."}}