{"id":"W4286816991","doi":"10.1021/acs.jcim.2c00500","title":"Targeting the Receptor-Binding Motif of SARS-CoV-2 with D-Peptides Mimicking the ACE2 Binding Helix: Lessons for Inhibiting Omicron and Future Variants of Concern","year":2022,"lang":"en","type":"article","venue":"Journal of Chemical Information and Modeling","topic":"SARS-CoV-2 and COVID-19 Research","field":"Medicine","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Canadian Institutes of Health Research; National Research Foundation of Korea","keywords":"Peptide; Coronavirus disease 2019 (COVID-19); Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2); In vitro; Binding site; Receptor; Chemistry; Monoclonal antibody; 2019-20 coronavirus outbreak; Plasma protein binding; Antibody; Virology; Molecular biology; Biology; Biochemistry; Genetics; 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":[0.001422483,0.000108541,0.0002823405,0.0001430457,0.0002508024,0.0000514544,0.0001264717,0.00005474208,0.000001780788],"category_scores_gemma":[0.0002013057,0.00006407322,0.000077624,0.0001716563,0.0000835906,0.0004017595,0.0001120674,0.0004753776,1.485147e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007655239,"about_ca_system_score_gemma":0.0001492143,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001443758,"about_ca_topic_score_gemma":3.757436e-7,"domain_scores_codex":[0.9986159,0.00003597113,0.0006931871,0.00007521005,0.0003913066,0.0001884397],"domain_scores_gemma":[0.99874,0.0002045722,0.0006387001,0.00007677278,0.0003173252,0.00002264843],"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":[0.0004981271,0.0000133926,0.0003815286,0.0002304141,0.00006675649,6.268541e-7,0.005254908,0.0003565792,0.9890857,0.0001102694,0.00009355509,0.003908089],"study_design_scores_gemma":[0.00193845,0.0001678863,0.000005526191,0.0003872794,0.00007722419,0.0001769933,0.02073509,0.1304618,0.8433942,0.00004638395,0.002514406,0.00009478048],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9931572,0.000357083,0.004337381,0.00175881,0.00005942609,0.0002402445,0.00001649108,0.000005552259,0.00006778046],"genre_scores_gemma":[0.9965657,0.00004990475,0.001575612,0.001616326,0.0001676363,0.000006934712,0.000006287489,0.00001082008,7.502193e-7],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1456916,"threshold_uncertainty_score":0.261283,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0687615221190654,"score_gpt":0.3435412180041409,"score_spread":0.2747796958850755,"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."}}