{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004017,0.0008958764,0.0011285,0.0005035361,0.000597834,0.0008499244,0.0007953661,0.001148159,0.002353142],"category_scores_gemma":[0.00107892,0.0004280583,0.000852429,0.0005308368,0.0006213769,0.0004337733,0.0005785255,0.0008843527,0.0002361336],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007601344,"about_ca_system_score_gemma":0.001050256,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01076158,"about_ca_topic_score_gemma":0.008257102,"domain_scores_codex":[0.9998686,0.00003999361,0.000006548532,0.00001722573,0.00002685408,0.00004070983],"domain_scores_gemma":[0.9995541,0.000294691,0.00003036614,0.00001831502,0.00004378366,0.00005879011],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.000296239,0.0001393571,0.002752281,0.00006370633,0.00007129894,0.0001513944,0.000064579,0.9904102,0.002398473,0.001240283,0.000484243,0.001927944],"study_design_scores_gemma":[0.00005922273,0.00007971281,0.0006660149,0.000008184798,0.00001420645,0.00001197887,0.00004258881,0.9977549,0.0006184488,0.0005278565,0.0002095545,0.000007443586],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9868441,0.0002517758,0.006743211,0.000344745,0.00003784379,0.00004436505,0.0004957346,0.0002700848,0.004968058],"genre_scores_gemma":[0.9944106,0.0001862629,0.004005143,0.00009638799,0.000006622404,0.00007217735,0.0005243791,0.00004572371,0.0006526657],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01076158,"threshold_uncertainty_score":0.02139789,"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."}}