{"id":"W2059987832","doi":"10.1021/ja0017817","title":"Transferred<sup>13</sup>C<i>T</i><sub>1</sub>Relaxation at Natural Isotopic Abundance:  A Practical Method for Determining Site-Specific Changes in Ligand Flexibility upon Binding to a Macromolecule","year":2000,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Hepatitis C virus research","field":"Medicine","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"Biotechnology Research Institute; Boehringer Ingelheim (Canada)","funders":"","keywords":"Chemistry; Relaxation (psychology); Ligand (biochemistry); Macromolecule; Spin–lattice relaxation; Molecular dynamics; Chemical physics; Nuclear magnetic resonance spectroscopy; Computational chemistry; Protease; Crystallography; Stereochemistry; Proton; Organic chemistry; Enzyme; Physics; Biochemistry","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":[0.000280605,0.0004541278,0.0001446861,0.0001604188,0.0001361977,0.0002448383,0.0004726762,0.0003623591,0.00223873],"category_scores_gemma":[0.0004017875,0.0002204854,0.00008744661,0.000126398,0.0004604273,0.0003998028,0.0002517601,0.0007181481,0.0007491283],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001968996,"about_ca_system_score_gemma":0.0001958546,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002527979,"about_ca_topic_score_gemma":0.0004768441,"domain_scores_codex":[0.999905,0.00001769548,0.000004438195,0.0000229128,0.00003827907,0.00001172439],"domain_scores_gemma":[0.9997004,0.00008330215,0.00009436706,0.00004662375,0.00004886044,0.00002641072],"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":[0.00005925411,0.00001113002,0.0001082394,0.00006059747,0.000002214457,0.00007959107,0.00002108605,0.00009832507,0.9931766,0.0002182263,0.0001339955,0.006030797],"study_design_scores_gemma":[0.000007184681,0.0001305231,0.0005431335,0.000004440441,0.000004416798,0.0001744543,0.0000244283,0.00110545,0.9958942,0.0001486093,0.001954873,0.000008235322],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.767499,0.002519258,0.2178766,0.0006430143,0.0001925738,0.0002446351,0.0008659171,0.001370839,0.008788151],"genre_scores_gemma":[0.8741348,0.001676494,0.1146037,0.0004587329,0.00006389136,0.0002823012,0.0009312843,0.0002063591,0.00764245],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00223873,"threshold_uncertainty_score":0.007489264,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03447606290979893,"score_gpt":0.3584234783746978,"score_spread":0.3239474154648989,"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."}}