{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004353495,0.00007380109,0.0001877005,0.0001096609,0.00007481631,0.00003335282,0.00006895247,0.00004714745,0.000003808784],"category_scores_gemma":[0.0004892169,0.00004947155,0.00005092935,0.00009094057,0.00004386132,0.0003959385,0.00007702204,0.0002182157,9.360768e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006108407,"about_ca_system_score_gemma":0.0001323867,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002211563,"about_ca_topic_score_gemma":0.000005833506,"domain_scores_codex":[0.9989854,0.00002640166,0.0004347862,0.00005147079,0.0003867244,0.0001152928],"domain_scores_gemma":[0.9991997,0.00003058196,0.0001783898,0.0001055482,0.0003137035,0.000172107],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0007683578,0.0000794599,0.0001569272,0.0003050499,0.00006353021,7.352862e-7,0.003845959,0.04048383,0.9077434,0.0004272861,0.0002472229,0.04587822],"study_design_scores_gemma":[0.0007997336,0.00005297043,0.00006266764,0.0001886625,0.00002460247,0.000003599849,0.0001080417,0.9296648,0.06816182,0.0002613467,0.0006124048,0.00005938762],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.966288,0.00002432198,0.03135038,0.001561627,0.00001454887,0.0002106534,0.00001355405,0.000004442361,0.0005324525],"genre_scores_gemma":[0.9968155,0.00004182481,0.002747775,0.0003361973,0.00002704607,0.000005536421,0.000004144056,0.000004651746,0.00001734839],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.889181,"threshold_uncertainty_score":0.2017391,"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."}}