{"id":"W2029957363","doi":"10.1021/ja909294n","title":"Determination of Leu Side-Chain Conformations in Excited Protein States by NMR Relaxation Dispersion","year":2009,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":73,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Canadian Institutes of Health Research","keywords":"Chemistry; Conformational isomerism; Excited state; Folding (DSP implementation); Relaxation (psychology); Side chain; Crystallography; Dispersion (optics); Protein folding; Chemical shift; SH3 domain; Computational chemistry; Chemical physics; Molecule; Physical chemistry; Atomic physics; Physics; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0001482858,0.00007108394,0.0001357719,0.00001312059,0.0000262346,0.000007055009,0.0001539369,0.00005923244,9.886699e-7],"category_scores_gemma":[0.0001090021,0.00004984135,0.0001557871,0.0001461989,0.0001158511,0.00001063908,0.00002879983,0.0001252003,7.902055e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004644381,"about_ca_system_score_gemma":0.00003720773,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001363171,"about_ca_topic_score_gemma":0.000001448657,"domain_scores_codex":[0.9993598,0.00003416277,0.0002970478,0.00006665356,0.0001484427,0.00009387918],"domain_scores_gemma":[0.9991416,0.00001197222,0.0006174824,0.0001056867,0.00009512746,0.00002807264],"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":[0.00005093197,0.00003215205,0.000292466,0.000005450874,0.000008694125,1.144906e-7,0.000133471,0.0000668857,0.9921586,0.000008150437,0.000550397,0.006692681],"study_design_scores_gemma":[0.0004575314,0.0002406198,0.002354916,0.00003853903,0.00001318086,0.0000117728,0.0003097909,0.003427052,0.9916676,0.0009244339,0.0004647226,0.00008985015],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9919569,0.00008701874,0.006987966,0.0008057243,0.00001245076,0.0001011931,0.000008833942,0.000001657622,0.00003817826],"genre_scores_gemma":[0.9962361,0.00008501323,0.003227333,0.00035943,0.00003610193,0.0000013861,0.00002260354,0.000004086736,0.00002788907],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006602831,"threshold_uncertainty_score":0.2032471,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003207654327827274,"score_gpt":0.2292274866836852,"score_spread":0.2260198323558579,"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."}}