{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001141663,0.0002222296,0.0001651435,0.00004838314,0.0001251516,0.0003443271,0.0002541244,0.0002025485,0.0006967686],"category_scores_gemma":[0.000141935,0.00009584762,0.0001121781,0.00007942897,0.0001883625,0.0001651083,0.0001879248,0.000274667,0.000137854],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003728221,"about_ca_system_score_gemma":0.0002175382,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001057012,"about_ca_topic_score_gemma":0.00108978,"domain_scores_codex":[0.9999533,0.000007087061,0.000002213972,0.00001357211,0.00001442933,0.000009384516],"domain_scores_gemma":[0.999977,0.000005381724,0.000006391735,0.000003468653,0.000002395836,0.000005305337],"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":[0.0002857873,0.00007264882,0.0007204206,0.0002397906,0.00003705189,0.0002493264,0.00007567384,0.01941825,0.9583219,0.005407216,0.0002553897,0.01491651],"study_design_scores_gemma":[0.00008036222,0.0007826897,0.000920627,0.00001217095,0.00004352665,0.0002108815,0.00004240853,0.0340724,0.955859,0.0008075392,0.007147735,0.00002066863],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9804054,0.001715555,0.01281475,0.0001537952,0.00002452704,0.00004312543,0.0000612458,0.0001157208,0.004665847],"genre_scores_gemma":[0.9948757,0.0007572155,0.003674224,0.00001809679,0.000003671915,0.00001206063,0.00003479383,0.000009736452,0.0006144013],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001057012,"threshold_uncertainty_score":0.002705038,"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."}}