{"id":"W4402672681","doi":"10.1021/acscatal.4c04549","title":"Development of Tunable Mechanism-Based Carbasugar Ligands that Stabilize Glycoside Hydrolases through the Formation of Transient Covalent Intermediates","year":2024,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"Biotechnology and Biological Sciences Research Council; Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Canadian Institutes of Health Research; Royal Society; Diamond Light Source","keywords":"Covalent bond; Chemistry; Catalysis; Mechanism (biology); Combinatorial chemistry; Glycoside hydrolase; Stereochemistry; Organic chemistry; Hydrolysis","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":[0.0002368653,0.0002157178,0.0003492069,0.00005702224,0.00008549665,0.00003742183,0.0003048248,0.0001055807,0.0002766661],"category_scores_gemma":[0.00006723749,0.0001573232,0.0002659516,0.000299072,0.0001032027,0.000176058,0.00005619481,0.0001206053,0.000006463655],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001296345,"about_ca_system_score_gemma":0.0001580345,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007130118,"about_ca_topic_score_gemma":0.0000553201,"domain_scores_codex":[0.9984885,0.0000130046,0.0005816346,0.0002736735,0.0004242483,0.0002189145],"domain_scores_gemma":[0.9988814,0.0003387663,0.0001712622,0.0004851978,0.00007786263,0.00004551407],"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":[0.0000463463,0.00009901229,0.0000210322,0.00145637,0.0002593573,0.000005687466,0.007616413,0.0002118458,0.9891508,0.00004487942,0.00006053527,0.001027705],"study_design_scores_gemma":[0.0001820163,0.000009504151,0.000003603149,0.0003335066,0.0003600627,0.00000371625,0.003253938,0.002534502,0.9915901,0.0001464608,0.001417773,0.0001648064],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9966562,0.0007887006,0.0009897489,0.0001710551,0.00005821683,0.00007993906,0.0001159507,0.000061434,0.001078762],"genre_scores_gemma":[0.9990498,0.00009193215,0.000301766,0.00002077312,0.00002632759,0.00007456062,0.0002836271,0.00002317285,0.0001280843],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004362475,"threshold_uncertainty_score":0.6415453,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02236050860897768,"score_gpt":0.2324418860197128,"score_spread":0.2100813774107351,"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."}}