{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000230902,0.0005754464,0.000549176,0.0002069386,0.0003485774,0.0004132722,0.0003922098,0.0003033928,0.002603645],"category_scores_gemma":[0.0003210647,0.0002689958,0.000518078,0.0003193329,0.0001682031,0.0004803991,0.0003086925,0.0008751291,0.0007237032],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004963805,"about_ca_system_score_gemma":0.0006257085,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007985819,"about_ca_topic_score_gemma":0.001521348,"domain_scores_codex":[0.9998802,0.00002617842,0.00001249221,0.0000269669,0.00003589329,0.00001826691],"domain_scores_gemma":[0.9999038,0.00002109077,0.00001975107,0.00001854496,0.00002344381,0.00001327235],"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":[0.0005871552,0.0001663232,0.001935205,0.0007578849,0.0001074783,0.0004009285,0.0001641707,0.01161478,0.9539451,0.004038649,0.001973232,0.0243091],"study_design_scores_gemma":[0.000144049,0.0004577644,0.003395133,0.00006752656,0.0001901825,0.0007234604,0.0001827574,0.02151825,0.9267468,0.002490661,0.04402005,0.00006345124],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9243228,0.01615093,0.04400047,0.0008260662,0.0001592004,0.0001792545,0.003705734,0.0006851546,0.00997051],"genre_scores_gemma":[0.9303857,0.01336996,0.04288981,0.0003485143,0.00003660225,0.000124976,0.007049498,0.0001391601,0.005655738],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002603645,"threshold_uncertainty_score":0.008710086,"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."}}