{"id":"W3127582876","doi":"10.1002/anie.202013920","title":"Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent β‐<scp>l‐</scp>Arabinofuranosidase Inhibitor","year":2021,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"H2020 European Research Council; Agencia Estatal de Investigación; Biotechnology and Biological Sciences Research Council; Natural Sciences and Engineering Research Council of Canada; Japan Society for the Promotion of Science; Horizon 2020 Framework Programme; Barcelona Supercomputing Center; Diamond Light Source; Generalitat de Catalunya; Ministerio de Ciencia e Innovación; Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Directorate for Biological Sciences; Agència de Gestió d'Ajuts Universitaris i de Recerca; Royal Society; Ministerio de Ciencia, Innovación y Universidades","keywords":"Nucleophile; Chemistry; Cysteine; Covalent bond; Stereochemistry; Adduct; Catalysis; Thiol; Combinatorial chemistry; Active site; Enzyme; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001276441,0.00022109,0.0002942495,0.0001023377,0.00003697423,0.00004275347,0.0002456735,0.0002034947,0.0003655324],"category_scores_gemma":[0.0007148068,0.0002504972,0.0001787207,0.0003427011,0.00008752234,0.0002413823,0.00009201645,0.0001986481,0.00002547086],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002466225,"about_ca_system_score_gemma":0.00008878333,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00008766759,"about_ca_topic_score_gemma":0.00003975761,"domain_scores_codex":[0.9982414,0.00001507287,0.0005803521,0.0004645673,0.000488138,0.000210455],"domain_scores_gemma":[0.9984958,0.0002735521,0.0002911183,0.0003674665,0.0004770004,0.00009507626],"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":[0.00003231045,0.0004467421,0.001001664,0.000236893,0.00009140471,0.00006452393,0.0002676426,0.0000432758,0.9954599,0.0001026333,0.001673972,0.0005790953],"study_design_scores_gemma":[0.0008762323,0.000008348484,0.0002310807,0.0002507439,0.00005509219,0.00004380944,0.0005987242,0.0002713029,0.9890336,0.0003798621,0.008136896,0.0001142582],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9822729,0.0003342778,0.0002878483,0.0004094226,0.0002457326,0.00006735644,0.0004130774,0.00006175299,0.01590769],"genre_scores_gemma":[0.994687,0.000138393,0.0001009487,0.000071434,0.0009676152,0.0001387254,0.003065537,0.00002574368,0.0008046172],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01510307,"threshold_uncertainty_score":0.9999948,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009197794696568578,"score_gpt":0.2303021495976953,"score_spread":0.2211043549011267,"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."}}