{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002789023,0.00009565787,0.0002758552,0.00007789551,0.00003286751,0.000002804893,0.0000901466,0.00006980864,0.00005744629],"category_scores_gemma":[0.00006650959,0.00009429935,0.00004474233,0.0003654882,0.0000775911,0.00003525174,0.00007205636,0.0002332754,3.136831e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002020418,"about_ca_system_score_gemma":0.0002019176,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004751251,"about_ca_topic_score_gemma":0.000001664633,"domain_scores_codex":[0.9988173,0.00002632133,0.0002933015,0.0002072565,0.0004967971,0.000159086],"domain_scores_gemma":[0.9994669,0.00001649592,0.0001443842,0.0002387613,0.0001126026,0.00002084491],"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":[0.0007808707,0.00022485,0.02409329,0.0006430122,0.00003294022,0.00004189628,0.0001622175,0.0000140633,0.9721407,0.00003575927,0.001038012,0.0007924369],"study_design_scores_gemma":[0.001908008,0.0001938462,0.0002957871,0.0001345918,0.00002806143,0.00002782999,0.0008748089,0.0006526274,0.9922446,0.0009963305,0.002552346,0.00009116789],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9883288,0.0004486039,0.008664184,0.00007201858,0.0000648246,0.0002775194,0.00004453639,0.00001968448,0.002079825],"genre_scores_gemma":[0.9964255,0.000008101629,0.00245949,0.000787775,0.00004259055,0.00006008573,0.00005574157,0.00001997451,0.0001407388],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0237975,"threshold_uncertainty_score":0.3845416,"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."}}