{"id":"W2082702574","doi":"10.1021/ja906881n","title":"Quadrupole-Central-Transition <sup>17</sup>O NMR Spectroscopy of Protein−Ligand Complexes in Solution","year":2009,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Chemistry; Quadrupole; Ligand (biochemistry); Nuclear magnetic resonance spectroscopy; NMR spectra database; Fluorine-19 NMR; Crystallography; Transverse relaxation-optimized spectroscopy; High resolution; Spectral line; Nuclear magnetic resonance; Stereochemistry; Receptor; Atomic physics","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":[0.0001085104,0.0001297614,0.0003261808,0.00001372872,0.00005904655,0.00001046422,0.0003115897,0.00006455192,0.00002772328],"category_scores_gemma":[0.00002209596,0.00009878917,0.0003738611,0.0002557833,0.0002838625,0.00008254909,0.00002664886,0.0004577363,3.493098e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002423898,"about_ca_system_score_gemma":0.00004970681,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003346557,"about_ca_topic_score_gemma":6.269505e-7,"domain_scores_codex":[0.9988704,0.00001486287,0.000464486,0.0001310583,0.0002652665,0.0002539309],"domain_scores_gemma":[0.9989785,0.00003462925,0.0006416572,0.0002052778,0.00006899727,0.00007093267],"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":[0.00006338266,0.0002158376,0.0001895094,0.00001892733,0.00001679906,4.799437e-7,0.0003199437,0.0009561252,0.9961329,0.00008126492,0.001274962,0.0007299175],"study_design_scores_gemma":[0.0003961615,0.000064987,0.0004913721,0.0001430255,0.00002719949,0.00001912732,0.0004259874,0.002772331,0.9911118,0.003694073,0.0007363625,0.0001175321],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9892612,0.00007566259,0.007232479,0.003042341,0.000001486124,0.0001043327,0.00001455729,0.0000210543,0.0002468587],"genre_scores_gemma":[0.9811651,0.00009313514,0.01818372,0.00036482,0.000148463,0.000005492397,0.000003421541,0.0000100841,0.0000258246],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01095125,"threshold_uncertainty_score":0.4028505,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009350289361157685,"score_gpt":0.2734680145375719,"score_spread":0.2641177251764142,"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."}}