{"id":"W4411210549","doi":"10.3390/biom15060855","title":"Docking Simulations of G-Protein Coupled Receptors Uncover Crossover Binding Patterns of Diverse Ligands to Angiotensin, Alpha-Adrenergic and Opioid Receptors: Implications for Cardiovascular Disease and Addiction","year":2025,"lang":"en","type":"article","venue":"Biomolecules","topic":"Receptor Mechanisms and Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Receptor; Opioid; Adrenergic receptor; Docking (animal); Alpha-2 adrenergic receptor; Pharmacology; G protein-coupled receptor; Alpha (finance); Addiction; Chemistry; Medicine; Computational biology; Bioinformatics; Neuroscience; Internal medicine; Biology; Clinical psychology","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":[0.0001326422,0.0001500357,0.0002175158,0.0001348774,0.0001383822,0.00002913822,0.00008232952,0.0001060351,0.000009920143],"category_scores_gemma":[0.0001167604,0.0001503638,0.0001981095,0.0001674497,0.00006544014,0.000009909009,0.0001145558,0.00002802611,1.672826e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000159496,"about_ca_system_score_gemma":0.00005194891,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001097749,"about_ca_topic_score_gemma":0.00001657326,"domain_scores_codex":[0.9990975,0.00002501376,0.0002550145,0.0003661317,0.00009677086,0.0001595346],"domain_scores_gemma":[0.9993175,0.00002406733,0.00009591653,0.0002754313,0.0001918455,0.00009524224],"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":[0.0001299038,0.00003213804,0.00375396,0.00006027342,0.0003593641,2.135367e-7,0.00004782224,0.001237643,0.9911405,0.0005713727,0.0001042801,0.002562472],"study_design_scores_gemma":[0.001109128,0.0001910343,0.003391766,0.0002151241,0.0003601281,8.336548e-7,0.0001190139,0.0007619573,0.9882708,0.0002931577,0.005037478,0.000249566],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9355727,0.002341428,0.06105197,0.00007724646,0.000140869,0.0004662797,0.0003356145,0.000009321187,0.000004558309],"genre_scores_gemma":[0.9976047,0.0002456856,0.001655198,0.0000385585,0.00006049096,0.00003941163,0.0002626044,0.00001766617,0.00007567206],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.062032,"threshold_uncertainty_score":0.6131657,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01195710799360462,"score_gpt":0.2574435745414144,"score_spread":0.2454864665478098,"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."}}