{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007269548,0.0001918916,0.0001750477,0.0001141508,0.0002126222,0.0002373538,0.0002835169,0.0001693985,0.002081082],"category_scores_gemma":[0.0001981689,0.0001153147,0.000178732,0.0001093958,0.0002072419,0.0003056734,0.0001667927,0.0003122521,0.0001280652],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002327372,"about_ca_system_score_gemma":0.000106461,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009628059,"about_ca_topic_score_gemma":0.0008178498,"domain_scores_codex":[0.9999411,0.000008082318,0.000001757696,0.00001220856,0.0000131505,0.00002366282],"domain_scores_gemma":[0.999935,0.00002315411,0.00001224528,0.000003032487,0.000008989497,0.00001761795],"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":[0.001724684,0.0002162153,0.005441764,0.0004708724,0.00009939194,0.0006461087,0.0002286081,0.0222333,0.9525172,0.003182349,0.0008745135,0.01236514],"study_design_scores_gemma":[0.0001787614,0.002220443,0.03521633,0.00006267466,0.0001478657,0.0005661809,0.0008850619,0.2080443,0.7442021,0.002010219,0.006348612,0.0001174515],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996983,0.0007433148,0.0009075468,0.00004045676,0.00001675523,0.000004304331,0.00004051259,0.00001483882,0.001249231],"genre_scores_gemma":[0.9992245,0.0002430869,0.0002134742,0.00001354464,0.00000282627,0.00000355447,0.00006568371,0.000002790023,0.0002304087],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002081082,"threshold_uncertainty_score":0.006961942,"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."}}