{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003699852,0.0008981866,0.001076856,0.0003721198,0.0008433584,0.0007701797,0.001626446,0.001169345,0.006723919],"category_scores_gemma":[0.0005229329,0.0005058573,0.0004960071,0.0007241025,0.0003954888,0.000562954,0.0003595292,0.002964288,0.0008194349],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001282048,"about_ca_system_score_gemma":0.001471281,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01381579,"about_ca_topic_score_gemma":0.01714761,"domain_scores_codex":[0.9995702,0.00005570187,0.00001758787,0.00006907753,0.0001970577,0.00009031482],"domain_scores_gemma":[0.999626,0.0001306521,0.00006233132,0.00001278971,0.00008910056,0.00007907933],"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":[0.006083024,0.003169407,0.01643122,0.002646758,0.001261779,0.004972657,0.001686379,0.01859482,0.8342953,0.006651293,0.06206261,0.04214476],"study_design_scores_gemma":[0.003297995,0.003441909,0.1316823,0.0006176217,0.0008790631,0.006270586,0.002720219,0.2125823,0.4662518,0.002522642,0.1692179,0.0005157303],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9549332,0.009707212,0.00315018,0.002563158,0.0004202302,0.0001634352,0.01018232,0.0009417142,0.01793852],"genre_scores_gemma":[0.9280506,0.008540869,0.01184433,0.0009618531,0.0001021889,0.0002950855,0.0340584,0.0003072746,0.01583934],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01381579,"threshold_uncertainty_score":0.02747077,"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."}}