{"id":"W1992491472","doi":"10.1021/ja034917k","title":"Direct Observation of the Protonation State of an Imino Sugar Glycosidase Inhibitor upon Binding","year":2003,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":87,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Chemistry; Protonation; Glycoside hydrolase; Stereochemistry; Nucleophile; Hydrolase; Enzyme; Enzyme kinetics; Mimicry; Transition state analog; Active site; Biochemistry; Catalysis; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003925479,0.0001365356,0.0003373191,0.000009161961,0.00006922437,0.00001439618,0.000387556,0.00005996637,0.00003782579],"category_scores_gemma":[0.0005052834,0.00008366273,0.0005659232,0.0003503651,0.0002646109,0.0001125371,0.00005513312,0.0003026416,1.840799e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001911621,"about_ca_system_score_gemma":0.0001234083,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002123798,"about_ca_topic_score_gemma":6.265466e-7,"domain_scores_codex":[0.9986213,0.00006738042,0.000556104,0.0001274797,0.0004677901,0.0001599475],"domain_scores_gemma":[0.9976141,0.0001802629,0.001615421,0.0003100633,0.0002129976,0.00006716524],"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":[0.00006760504,0.0001398256,0.002436061,0.00008970746,0.0000768559,3.922053e-7,0.000343442,0.00005568952,0.9957171,0.000002847408,0.0001154279,0.0009550081],"study_design_scores_gemma":[0.000276297,0.00001948622,0.0004950293,0.0001257808,0.00006951018,0.00001364369,0.0004308026,0.0001614951,0.9979294,0.00009752145,0.0002875499,0.00009346569],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9992536,0.00002570599,0.000005933776,0.0001826582,0.00005120765,0.00007514999,0.00002513022,0.000006365327,0.0003742474],"genre_scores_gemma":[0.999103,0.00002145433,0.0006253577,0.00004591774,0.0000900846,0.000005092006,0.000002031243,0.00001551024,0.00009162381],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00221228,"threshold_uncertainty_score":0.3411667,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01630038839583197,"score_gpt":0.2418161335536239,"score_spread":0.2255157451577919,"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."}}