{"id":"W2125084048","doi":"10.1038/nchem.1728","title":"Sub-ångström-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate","year":2013,"lang":"en","type":"article","venue":"Nature Chemistry","topic":"Biochemical Acid Research Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":87,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Covalent bond; Crystallography; Substrate (aquarium); Transketolase; Stereochemistry; Chemical physics; Enzyme; 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":[0.0002061157,0.0002730695,0.0003230491,0.0001176685,0.0002379654,0.000502387,0.0005366722,0.0003494289,0.001337413],"category_scores_gemma":[0.0003770329,0.0003020182,0.0001778253,0.0001621446,0.0003405827,0.0004613217,0.0002800942,0.001413545,0.0003212978],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003653536,"about_ca_system_score_gemma":0.0002453213,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008789477,"about_ca_topic_score_gemma":0.001086254,"domain_scores_codex":[0.9999166,0.000009581448,0.000006314382,0.00002134627,0.00002451779,0.00002168453],"domain_scores_gemma":[0.9998047,0.00006172848,0.00005550376,0.00002959749,0.00001661095,0.00003191997],"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":[0.0002638356,0.00008905067,0.002012687,0.00005333756,0.00002239134,0.0005079772,0.00009722634,0.001613362,0.9909644,0.0009737784,0.0003380061,0.003063905],"study_design_scores_gemma":[0.00003781406,0.0001031285,0.002678578,0.000003839414,0.00001956478,0.0004278975,0.00008394578,0.002883933,0.9922855,0.0002782837,0.001184837,0.00001274265],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9941185,0.0004943791,0.003476516,0.0002739263,0.00002628678,0.000009016772,0.00009595352,0.0001138638,0.001391657],"genre_scores_gemma":[0.9970246,0.0002442005,0.001770905,0.00006211422,0.000004950098,0.000004649255,0.0001446226,0.00002621493,0.0007175951],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001337413,"threshold_uncertainty_score":0.004474103,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005515372061090315,"score_gpt":0.2621401099700266,"score_spread":0.2566247379089363,"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."}}