{"id":"W6959344336","doi":"10.1021/ja7104152.s002","title":"Investigation of Binding of UDP-Gal<i>f</i> and UDP-[3-F]Gal<i>f</i> to\\nUDP-galactopyranose Mutase by STD-NMR Spectroscopy,\\nMolecular Dynamics, and CORCEMA-ST Calculations<sup>†</sup>","year":2016,"lang":"en","type":"article","venue":"Figshare","topic":"Wheat and Barley Genetics and Pathology","field":"Agricultural and Biological Sciences","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; National Institutes of Health","keywords":"Mutase; Affinities; Binding affinities; Catalysis; Enzyme; Binding site; Relaxation (psychology)","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":[0.0002850425,0.0006165666,0.0005135887,0.0001829314,0.0004193256,0.0003237151,0.0008948215,0.0005227844,0.002916263],"category_scores_gemma":[0.0006112194,0.0003408931,0.0004709847,0.0003921364,0.0002352744,0.0003107127,0.0003101078,0.0009687232,0.0007328556],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007748352,"about_ca_system_score_gemma":0.0004999745,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009235295,"about_ca_topic_score_gemma":0.005589255,"domain_scores_codex":[0.9997154,0.00004108297,0.00001152705,0.00007686464,0.0000690809,0.00008594372],"domain_scores_gemma":[0.9998235,0.00005264309,0.00002074633,0.00002228832,0.0000482161,0.00003257636],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0009810439,0.0003384903,0.001646914,0.0004776261,0.0001472737,0.0003454632,0.0003440002,0.01454625,0.9669505,0.002402117,0.001465744,0.01035442],"study_design_scores_gemma":[0.00004300796,0.0006822022,0.003569938,0.0000242383,0.00005198012,0.0001534994,0.000211949,0.0683078,0.917744,0.0004139964,0.008719656,0.00007769236],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9785914,0.001369718,0.01186059,0.0001944927,0.00007526073,0.00005639387,0.001060972,0.0001989292,0.006592345],"genre_scores_gemma":[0.9814867,0.001250694,0.008496833,0.0001344112,0.000008395127,0.00009790232,0.002178517,0.00008367986,0.006262911],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009235295,"threshold_uncertainty_score":0.01836306,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01783030572345464,"score_gpt":0.2202335661838494,"score_spread":0.2024032604603948,"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."}}