{"id":"W2016210086","doi":"10.1021/ja051942c","title":"Measuring p <i>K</i> <sub>a</sub> Values in Protein Folding Transition State Ensembles by NMR Spectroscopy","year":2005,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"SickKids Foundation; Hospital for Sick Children; University of Toronto","funders":"","keywords":"Chemistry; Folding (DSP implementation); Protein folding; Crystallography; Contact order; Nuclear magnetic resonance spectroscopy; Phi value analysis; Chemical shift; SH3 domain; Chemical physics; Native state; Stereochemistry; Physical 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":[0.0003705478,0.0002946603,0.0002347949,0.0002666738,0.0002999424,0.0003892972,0.0003148459,0.0003199296,0.0006894354],"category_scores_gemma":[0.001359389,0.0001931089,0.0001492649,0.0002260079,0.0004585926,0.0007533719,0.0002832108,0.000844426,0.0002582284],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002899368,"about_ca_system_score_gemma":0.0001112236,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002650844,"about_ca_topic_score_gemma":0.0002786238,"domain_scores_codex":[0.999815,0.00002720111,0.00001106478,0.00006185717,0.00005287666,0.00003197527],"domain_scores_gemma":[0.9995126,0.0001865309,0.00008813031,0.00004633134,0.0000982338,0.00006822455],"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":[0.0001703577,0.00004371965,0.002691402,0.00002943738,0.00001414394,0.00005315926,0.0001071888,0.001007124,0.9922438,0.0003930795,0.00006125056,0.003185291],"study_design_scores_gemma":[0.00001248389,0.0002005477,0.01163533,0.000004882303,0.0000191742,0.000160198,0.00007774741,0.01629112,0.970311,0.0008558603,0.0004094307,0.00002222728],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.97971,0.00008261463,0.01889942,0.0000385934,0.000008754529,0.00001997239,0.0001555241,0.0001470456,0.0009380218],"genre_scores_gemma":[0.993179,0.0001418677,0.006218757,0.0000235294,0.000005738052,0.00004268636,0.0001440402,0.00002590842,0.0002185507],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006894354,"threshold_uncertainty_score":0.002306402,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005169796967371941,"score_gpt":0.2167499465550068,"score_spread":0.2115801495876349,"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."}}