{"id":"W4213426101","doi":"10.3389/fchem.2022.852210","title":"Crystallization of Feline Coronavirus Mpro With GC376 Reveals Mechanism of Inhibition","year":2022,"lang":"en","type":"article","venue":"Frontiers in Chemistry","topic":"SARS-CoV-2 and COVID-19 Research","field":"Medicine","cited_by":44,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research; University of Saskatchewan; Canadian Light Source","keywords":"Feline infectious peritonitis; Coronavirus; Virology; Protease; Prodrug; Coronaviridae; Viral replication; Antiviral drug; Chemistry; Drug; Virus; Biology; Enzyme; Coronavirus disease 2019 (COVID-19); Biochemistry; Pharmacology; Medicine; Infectious disease (medical specialty)","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001437245,0.0003192389,0.0004403596,0.0001233035,0.0002322057,0.0003067691,0.0004959863,0.0003789862,0.001404739],"category_scores_gemma":[0.0003083845,0.0001724336,0.0002352547,0.0002813718,0.0002169011,0.0002106023,0.0002114837,0.0005125964,0.0003680491],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00108625,"about_ca_system_score_gemma":0.0007117657,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01193791,"about_ca_topic_score_gemma":0.01173532,"domain_scores_codex":[0.9998052,0.00001934794,0.00001477645,0.00003868542,0.00007351753,0.00004856575],"domain_scores_gemma":[0.9999418,0.00001117218,0.00001088876,0.0000067298,0.00001443248,0.00001500999],"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":[0.0006185896,0.0002702374,0.001364299,0.0002988957,0.00006048599,0.0004851896,0.000199756,0.007339323,0.9785672,0.001005458,0.00169529,0.008095194],"study_design_scores_gemma":[0.0002635389,0.0006134439,0.005294838,0.00004866247,0.00005155599,0.0004340752,0.0001472115,0.02896236,0.9526126,0.0002465047,0.01129022,0.00003495916],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9927083,0.001905751,0.0009330242,0.0002452701,0.00003152292,0.00004437511,0.0003845742,0.0001101865,0.003637017],"genre_scores_gemma":[0.991111,0.001660171,0.003004333,0.0001814077,0.000008602274,0.00003142278,0.001315204,0.00006129545,0.002626418],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01193791,"threshold_uncertainty_score":0.02373683,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02303779205669002,"score_gpt":0.2968816611325146,"score_spread":0.2738438690758245,"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."}}