{"id":"W2964507132","doi":"10.1111/cbdd.13596","title":"Interdomain twists of human thymidine phosphorylase and its active–inactive conformations: Binding of 5‐FU and its analogues to human thymidine phosphorylase versus dihydropyrimidine dehydrogenase","year":2019,"lang":"en","type":"article","venue":"Chemical Biology & Drug Design","topic":"Biochemical and Molecular Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"Memorial University of Newfoundland; Apotex","keywords":"Thymidine phosphorylase; Chemistry; Thymidine; Ligand (biochemistry); Dihydropyrimidine dehydrogenase; Stereochemistry; Pyrimidine; Active site; Enzyme; DNA; Biochemistry; Biophysics; Biology; Receptor; Thymidylate synthase","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0004012103,0.0003746129,0.0005714159,0.0001533693,0.00008741519,0.00001491793,0.0003655134,0.0003640447,0.00005212883],"category_scores_gemma":[0.0003573311,0.0003359669,0.0001347644,0.0002334571,0.0003570325,0.00002033136,0.0005518438,0.0002745901,0.00001500163],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004916657,"about_ca_system_score_gemma":0.00006425048,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003086294,"about_ca_topic_score_gemma":0.000005113002,"domain_scores_codex":[0.9979463,0.0001609624,0.0005278711,0.0007056062,0.0001730478,0.000486162],"domain_scores_gemma":[0.9986919,0.0001467773,0.0002368554,0.0003596165,0.0002456846,0.0003191916],"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":[0.001513831,0.000178709,0.0001038191,0.0001463278,0.0002204762,0.000005561912,0.0001979363,0.000002710794,0.9963138,0.0005846033,0.0001929117,0.0005393355],"study_design_scores_gemma":[0.002146059,0.00117314,0.00003444505,0.00008146682,0.00006114038,0.00001348888,0.0001696642,0.0001519274,0.995353,0.0001156608,0.0003494979,0.0003504523],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9944544,0.004125181,0.0001014658,0.0001016667,0.00005369,0.0007784744,0.000171357,0.00001774258,0.0001960378],"genre_scores_gemma":[0.998428,0.0004875326,0.0001921052,0.00007275629,0.00005024693,0.00006010991,0.0005576602,0.00003378359,0.0001177566],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003973663,"threshold_uncertainty_score":0.9999092,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02340065610093759,"score_gpt":0.3033331025385557,"score_spread":0.2799324464376181,"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."}}