{"id":"W4220928358","doi":"10.1016/j.compbiolchem.2022.107668","title":"Glycosylation is key for enhancing drug recognition into spike glycoprotein of SARS-CoV-2","year":2022,"lang":"en","type":"article","venue":"Computational Biology and Chemistry","topic":"SARS-CoV-2 and COVID-19 Research","field":"Medicine","cited_by":2,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Waterloo","funders":"Fundação de Amparo à Pesquisa do Estado de Minas Gerais; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior","keywords":"Glycosylation; Glycoprotein; Computational biology; Biology; Drug discovery; Protein domain; Drug development; Drug; Receptor; Cell biology; Chemistry; Bioinformatics; Biochemistry; Gene; Pharmacology","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000189612,0.0003328314,0.0003670277,0.00007170686,0.0002045836,0.0004616635,0.0002091194,0.0002674726,0.001707784],"category_scores_gemma":[0.000371733,0.0001031021,0.0003230115,0.0001258172,0.0001663584,0.0005275767,0.0003386401,0.0005673214,0.0003624195],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002425594,"about_ca_system_score_gemma":0.0003272556,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007380842,"about_ca_topic_score_gemma":0.0007061259,"domain_scores_codex":[0.9998996,0.00001933969,0.000004070571,0.00002304913,0.00002547713,0.0000284319],"domain_scores_gemma":[0.9999391,0.00001444028,0.00001365534,0.000007235745,0.0000147349,0.00001073107],"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":[0.0007301361,0.0002777287,0.004881913,0.000352061,0.00007918779,0.0002709458,0.0001064789,0.02259421,0.9108334,0.01072463,0.002230972,0.04691845],"study_design_scores_gemma":[0.00009161764,0.0006773908,0.004546692,0.00002898779,0.0001193703,0.0003305566,0.0001548628,0.1963637,0.7808662,0.007084567,0.009693589,0.00004256173],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.964888,0.00119964,0.02602754,0.0006861971,0.0001516749,0.00006801458,0.0001812157,0.0003011018,0.006496638],"genre_scores_gemma":[0.9890104,0.0005646492,0.008725168,0.0001616596,0.00001490755,0.00001829356,0.000183024,0.00002627769,0.00129568],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001707784,"threshold_uncertainty_score":0.005713105,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0363197559364166,"score_gpt":0.3498350507389618,"score_spread":0.3135152948025452,"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."}}