{"id":"W2045297521","doi":"10.1021/ja002500y","title":"Structural and Dynamic Analysis of Residual Dipolar Coupling Data for Proteins","year":2001,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":289,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Residual dipolar coupling; Chemistry; Residual; Dipole; Anisotropy; Chemical physics; Biological system; Statistical physics; Computational chemistry; Molecular dynamics; Coupling (piping); Magnetic dipole–dipole interaction; Molecular physics; Algorithm; Physics; Quantum mechanics; Organic 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000209771,0.00009643874,0.0002940799,0.00001615401,0.00005525029,0.00001168898,0.0004935446,0.00005887208,0.000001338494],"category_scores_gemma":[0.0001482688,0.00006300802,0.000285511,0.0002417454,0.0003001381,0.000006594396,0.0002697803,0.0001322776,1.143184e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001878638,"about_ca_system_score_gemma":0.00005621342,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002001072,"about_ca_topic_score_gemma":0.000009188106,"domain_scores_codex":[0.9992618,0.0000141583,0.0002715376,0.0001610475,0.0001536317,0.0001378314],"domain_scores_gemma":[0.9988765,0.00002906656,0.0005439722,0.0003921252,0.0001083309,0.00005000631],"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":[0.0001333008,0.00001024464,0.006791701,0.00001072457,0.0008941349,2.545415e-7,0.00002840548,0.0002408731,0.9905839,0.000004257884,0.000162875,0.001139358],"study_design_scores_gemma":[0.002929121,0.001085034,0.08071689,0.00008902926,0.006029845,0.0002560318,0.001152483,0.1889682,0.7109941,0.00137001,0.005522282,0.0008870623],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9939365,0.0005908929,0.004900679,0.0003184945,0.00002832083,0.00009942674,0.0001217538,0.000001501654,0.000002456577],"genre_scores_gemma":[0.9880328,0.0002689599,0.0113367,0.0001580415,0.0001264244,0.000001213456,0.00005355011,0.000009307214,0.00001300574],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2795898,"threshold_uncertainty_score":0.2569393,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01077118879509022,"score_gpt":0.2825868386773303,"score_spread":0.2718156498822401,"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."}}