{"id":"W4291214721","doi":"10.1002/pro.4395","title":"Crystal structure of <scp>SARS‐CoV</scp>‐2 nsp10–nsp16 in complex with small molecule inhibitors, <scp>SS148</scp> and <scp>WZ16</scp>","year":2022,"lang":"en","type":"article","venue":"Protein Science","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":44,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"National Institute of General Medical Sciences; European Regional Development Fund; Genentech; Mitacs; National Cancer Institute; European Federation of Pharmaceutical Industries and Associations; University of Toronto; Ontario Genomics Institute; Merck KGaA; Helmholtz-Zentrum Berlin für Materialien und Energie; Ontario Genomics; Genome Canada; McGill University; Bristol-Myers Squibb; Akademie Věd České Republiky; Bayer; Pfizer","keywords":"Chemistry; Small molecule; Molecule; Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2); Coronavirus disease 2019 (COVID-19); Biochemistry; Medicine","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.001268913,0.0005210396,0.0006118555,0.0005616194,0.0009293057,0.0003241982,0.001276512,0.0001567127,0.00006688352],"category_scores_gemma":[0.0008441957,0.0004490389,0.00008334017,0.002333517,0.001622063,0.0007849208,0.0009540652,0.0006367129,0.0000105413],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002103621,"about_ca_system_score_gemma":0.0005667514,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007223837,"about_ca_topic_score_gemma":0.0006558754,"domain_scores_codex":[0.99466,0.0002885034,0.0007260875,0.001434585,0.001699892,0.001190904],"domain_scores_gemma":[0.9978018,0.0002535594,0.0006042591,0.0007887578,0.000278469,0.0002731847],"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":[0.000008749822,0.00006631713,0.003920055,0.0001111119,0.000006953144,0.0000316942,0.002320582,0.0003161535,0.9909428,0.0009832011,0.001045864,0.0002465028],"study_design_scores_gemma":[0.0009863268,0.0006816948,0.01155118,0.00006774869,0.00002273016,0.0001409473,0.002922307,0.0003516295,0.9750929,0.00199189,0.006087766,0.0001029096],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9948024,0.0004214449,0.0006243399,0.00005498897,0.0004341991,0.001340174,0.0001858302,0.0001332231,0.002003367],"genre_scores_gemma":[0.9929889,0.000007236127,0.006123653,0.0002242006,0.0001363383,0.0001215629,0.00002964921,0.00005038289,0.000318065],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01584994,"threshold_uncertainty_score":0.9997962,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01620090719331541,"score_gpt":0.2271759655175754,"score_spread":0.21097505832426,"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."}}