{"id":"W2087583385","doi":"10.1021/bi700249m","title":"Probing Electrostatic Interactions along the Reaction Pathway of a Glycoside Hydrolase:  Histidine Characterization by NMR Spectroscopy","year":2007,"lang":"en","type":"article","venue":"Biochemistry","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":43,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Chemistry; Histidine; Stereochemistry; Imidazole; Active site; Chemical shift; Hydrogen bond; Nuclear magnetic resonance spectroscopy; Crystallography; Enzyme; Molecule; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001009443,0.0001543004,0.00007000088,0.00005117662,0.00009657544,0.0001245275,0.0001438238,0.0001173741,0.0005963754],"category_scores_gemma":[0.0001756208,0.00005461261,0.00006119864,0.000068995,0.00015071,0.0001783184,0.00009377416,0.0001888697,0.0001121113],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001487888,"about_ca_system_score_gemma":0.00006820633,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004881944,"about_ca_topic_score_gemma":0.0005653567,"domain_scores_codex":[0.9999647,0.000006921285,0.000001366791,0.000006922731,0.00001101514,0.000009141962],"domain_scores_gemma":[0.9999344,0.00001448702,0.000018713,0.000003931093,0.00001391602,0.00001454052],"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":[0.00008344704,0.00001081712,0.0006732172,0.00001721241,0.000004196747,0.00003524475,0.0000284005,0.0001850176,0.9976938,0.00007997602,0.00001369353,0.001174917],"study_design_scores_gemma":[0.0000119904,0.0001947188,0.01077162,0.000002932467,0.00001132864,0.0001900576,0.00007655191,0.003979279,0.9837059,0.0001411607,0.0009049997,0.000009429629],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9980703,0.00008614066,0.001584496,0.00001813579,0.000001497333,0.000002003864,0.00002514076,0.000008622545,0.000203556],"genre_scores_gemma":[0.9984558,0.00008188436,0.001121036,0.000009873178,0.000001170349,0.000001870282,0.00005419043,0.00000381256,0.0002702595],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0005963754,"threshold_uncertainty_score":0.001995087,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006826685727012341,"score_gpt":0.2216450271257746,"score_spread":0.2148183413987623,"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."}}