{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002807776,0.0008486972,0.0009522698,0.000429257,0.001195551,0.0009785374,0.00213185,0.001631613,0.01135447],"category_scores_gemma":[0.0005075067,0.0005394341,0.000583381,0.0007774949,0.0005609794,0.0008978081,0.0004858505,0.002967842,0.001083147],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002107472,"about_ca_system_score_gemma":0.002368276,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02687993,"about_ca_topic_score_gemma":0.02862234,"domain_scores_codex":[0.9996958,0.00003636257,0.00001089221,0.00004657665,0.0001522779,0.0000581214],"domain_scores_gemma":[0.9996806,0.0001003924,0.00004446229,0.00001470347,0.00008168621,0.00007825933],"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":[0.007625325,0.002934592,0.03828355,0.005072264,0.001547642,0.01157537,0.003172969,0.09860449,0.5273876,0.02742048,0.2091298,0.06724589],"study_design_scores_gemma":[0.002614215,0.002083208,0.08301826,0.0007885079,0.0007469017,0.003428892,0.003276532,0.5688425,0.1777416,0.007659895,0.1490348,0.0007647485],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9100122,0.01183055,0.009241223,0.006745717,0.0008194104,0.0001616462,0.01722004,0.002590077,0.04137927],"genre_scores_gemma":[0.9279683,0.01011762,0.01886756,0.0007862254,0.000169124,0.0002041169,0.03024573,0.0006963339,0.01094499],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02687993,"threshold_uncertainty_score":0.05344695,"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."}}