{"id":"W2045001436","doi":"10.1016/j.jmb.2007.01.051","title":"Propagation of Dynamic Changes in Barnase Upon Binding of Barstar: An NMR and Computational Study","year":2007,"lang":"en","type":"article","venue":"Journal of Molecular Biology","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":54,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Barnase; Molecular dynamics; Chemistry; Nuclear magnetic resonance spectroscopy; Chemical shift; Side chain; Crystallography; Chemical physics; Computational chemistry; Biophysics; Stereochemistry; Ribonuclease; Biochemistry; Physical chemistry; Biology; RNA","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":[0.0004310324,0.0002521086,0.0004625258,0.0002274091,0.000648878,0.0005586418,0.0009074139,0.0006302843,0.001839203],"category_scores_gemma":[0.0009603542,0.0003324965,0.0004093471,0.0002964383,0.0006583275,0.0009877956,0.0003151585,0.000840913,0.0001696676],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009410129,"about_ca_system_score_gemma":0.0008848782,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.008850149,"about_ca_topic_score_gemma":0.007224161,"domain_scores_codex":[0.9998941,0.00001103958,0.000003303039,0.0000245014,0.00002866083,0.00003833879],"domain_scores_gemma":[0.9995259,0.0002078678,0.0000738938,0.00004426587,0.00007421769,0.00007390875],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.002069182,0.001181105,0.0146913,0.0005044235,0.0002738105,0.001597679,0.0009012064,0.5149117,0.4210978,0.01761254,0.003268144,0.02189112],"study_design_scores_gemma":[0.00007590981,0.0001798578,0.005329098,0.000007245876,0.00003393376,0.00006954213,0.000123659,0.9499802,0.04274924,0.0007891659,0.0006048633,0.0000572781],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9939736,0.00008942753,0.004088775,0.000198018,0.00001786275,0.00001153254,0.00009857783,0.0001070276,0.001415266],"genre_scores_gemma":[0.9977801,0.0000714403,0.001607848,0.00002915954,0.000005226103,0.000009351423,0.0001312165,0.00002072333,0.0003448291],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008850149,"threshold_uncertainty_score":0.01759726,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006198204639157464,"score_gpt":0.2867539844495062,"score_spread":0.2805557798103487,"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."}}