{"id":"W2006258572","doi":"10.1021/ja068421p","title":"Equivalency of Binding Sites in Protein−Ligand Complexes Revealed by Time-Resolved Tandem Mass Spectrometry","year":2007,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Ligand (biochemistry); Tandem mass spectrometry; Mass spectrometry; Protein ligand; Crystallography; Dissociation (chemistry); Tandem; Disaccharide; Stereochemistry; Physical chemistry; Chromatography; Biochemistry","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":[0.0006312275,0.0004127989,0.0004395872,0.0003819291,0.0002905786,0.0009019421,0.0006496301,0.0007110413,0.0007297425],"category_scores_gemma":[0.00127661,0.0003146923,0.0002039395,0.0002915207,0.0005833738,0.0006292106,0.0004161962,0.0009548372,0.000331237],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000771029,"about_ca_system_score_gemma":0.0002503805,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000637748,"about_ca_topic_score_gemma":0.0004814363,"domain_scores_codex":[0.999253,0.0001077369,0.00003424403,0.0002143633,0.0003110386,0.00007967094],"domain_scores_gemma":[0.9994035,0.0002408765,0.0001458838,0.00004937996,0.00007237171,0.0000881232],"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":[0.0001173096,0.00002227736,0.0004118588,0.00002147322,0.000008828063,0.00002392931,0.00003527039,0.0001619805,0.9979854,0.0002223535,0.00002664533,0.0009627194],"study_design_scores_gemma":[0.00002374415,0.0001042494,0.002240415,0.000003042861,0.00001441763,0.0002220581,0.00003902279,0.007388983,0.988916,0.000243185,0.0007905809,0.00001432133],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9736568,0.001370127,0.02374713,0.00008768832,0.00001617264,0.00003070527,0.0001854925,0.000209225,0.0006967856],"genre_scores_gemma":[0.9820096,0.0004826508,0.01572795,0.00008756566,0.000007251335,0.00006008877,0.0003986041,0.00004635792,0.001179839],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009019421,"threshold_uncertainty_score":0.005594254,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01155477427868661,"score_gpt":0.2715391707673779,"score_spread":0.2599843964886913,"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."}}