{"id":"W3101412626","doi":"10.3390/ijms21228457","title":"Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms","year":2020,"lang":"en","type":"article","venue":"International Journal of Molecular Sciences","topic":"Retinoids in leukemia and cellular processes","field":"Biochemistry, Genetics and Molecular Biology","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Deutsches Elektronen-Synchrotron; Genentech; Aventis Foundation; Deutsche Forschungsgemeinschaft; Ontario Genomics Institute; European Commission; CALIPSOplus; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; Ontario Genomics; Fundação de Amparo à Pesquisa do Estado de São Paulo; Genome Canada; Wellcome Trust; McGill University; Pfizer","keywords":"Retinoid X receptor; Nuclear receptor; Palmitic acid; Biochemistry; Gene isoform; Transactivation; Transcription factor; Receptor; Ligand (biochemistry); Biology; Chemistry; Peroxisome proliferator-activated receptor; Fatty acid; Cell biology; Gene","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001705461,0.0001471462,0.000197229,0.0001067521,0.00007656154,0.00007770322,0.0006021095,0.0000762308,0.000003138428],"category_scores_gemma":[0.000222002,0.0001139284,0.0001174678,0.0001023496,0.0003450874,0.00002813395,0.0001348105,0.00008615396,3.104687e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001321608,"about_ca_system_score_gemma":0.0002135838,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002909879,"about_ca_topic_score_gemma":3.813909e-7,"domain_scores_codex":[0.998716,0.00006174992,0.000395519,0.0002442333,0.0004397001,0.0001428165],"domain_scores_gemma":[0.9989246,0.00003932606,0.0003678968,0.00007609524,0.0004902109,0.0001018475],"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":[0.0001218558,0.00001184962,0.000354549,0.00005755423,0.0001363168,0.00004163464,0.0003749362,0.001286539,0.9952711,0.0002889184,0.00008295215,0.001971832],"study_design_scores_gemma":[0.0006481761,0.0007667506,0.0001589659,0.00004520312,0.00002951947,0.0001170074,0.0004228107,0.0009060039,0.9923621,0.003151116,0.001256131,0.000136215],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8714189,0.003268853,0.1243435,0.0006610067,0.0001280961,0.0001402036,0.000006618956,0.000002757344,0.00003004497],"genre_scores_gemma":[0.9805082,0.000224316,0.01834522,0.0007632562,0.0001269427,0.000003937354,0.00001457804,0.00001102318,0.000002538026],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1090893,"threshold_uncertainty_score":0.4645865,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0290638759602494,"score_gpt":0.2934902241556487,"score_spread":0.2644263481953993,"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."}}