{"id":"W4412007764","doi":"10.1021/acsomega.5c01536","title":"Crystallographic Structure of Human Dihydroorotate Dehydrogenase in Complex with the Natural Product Inhibitor Lapachol","year":2025,"lang":"en","type":"article","venue":"ACS Omega","topic":"Biochemical and Molecular Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Artificial Intelligence in Medicine (Canada)","funders":"H2020 Research Infrastructures; Conselho Nacional de Desenvolvimento Científico e Tecnológico; National Institute of Allergy and Infectious Diseases; Fundação de Amparo à Pesquisa do Estado de Goiás; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; Fundação de Amparo à Pesquisa do Estado de São Paulo; Deutsche Forschungsgemeinschaft","keywords":"Dihydroorotate dehydrogenase; Natural product; Chemistry; Natural (archaeology); Stereochemistry; Biochemistry; Biology; Enzyme","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":[0.00009367476,0.0001442547,0.0001481712,0.00008120013,0.00007353778,0.00001848918,0.0003199136,0.00008250026,0.000002619224],"category_scores_gemma":[0.0000373988,0.0000902598,0.00005958522,0.0003912008,0.0003052495,0.000003159936,0.0001806062,0.0002356511,3.169981e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000008770595,"about_ca_system_score_gemma":0.00005736179,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005448623,"about_ca_topic_score_gemma":0.0004182964,"domain_scores_codex":[0.9990335,0.00006951518,0.0001570015,0.0003241658,0.0001630967,0.0002526873],"domain_scores_gemma":[0.999402,0.000007848859,0.00004744387,0.0004181631,0.00008638516,0.00003819541],"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":[0.0001158423,0.00005414291,0.002171698,0.00005071604,0.00006173726,0.000005215285,0.00002507667,0.000009045756,0.9958342,0.0001407592,0.001228888,0.0003027008],"study_design_scores_gemma":[0.000680127,0.0001313361,0.004189318,0.00002320665,0.00001175284,0.000006202456,0.00002913143,0.000006380569,0.9883891,0.0001458227,0.006271684,0.0001159921],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9974746,0.001159939,0.000009870042,0.0006888049,0.00002055278,0.0003406732,0.00001841632,0.000006410807,0.0002807299],"genre_scores_gemma":[0.999087,0.00001913494,0.00005292432,0.0002949173,0.00004710109,0.00001760133,0.0001653799,0.00001293476,0.0003029605],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007445131,"threshold_uncertainty_score":0.3680688,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007123770803792756,"score_gpt":0.2633715900310676,"score_spread":0.2562478192272749,"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."}}