{"id":"W2052420006","doi":"10.1110/ps.051905906","title":"Comparison of crystal structures of human androgen receptor ligand‐binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity","year":2006,"lang":"en","type":"article","venue":"Protein Science","topic":"Estrogen and related hormone effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":276,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Ligand (biochemistry); Androgen receptor; Chemistry; Dihydrotestosterone; Steroid; van der Waals force; Molecule; Stereochemistry; Crystallography; Agonist; Receptor; Binding site; Androgen; Crystal structure; Affinities; Nuclear receptor; Biophysics; Biology; Biochemistry; Transcription factor; Hormone","routes":{"ca_aff":true,"ca_fund":true,"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":[0.000237568,0.0004716505,0.000689443,0.0002389052,0.0003164363,0.0006092722,0.0005500931,0.0003234895,0.001299627],"category_scores_gemma":[0.0003318691,0.0002448878,0.0004430235,0.0004431849,0.0001599755,0.0002100278,0.0001990709,0.0007156394,0.0003737611],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000795703,"about_ca_system_score_gemma":0.0004617233,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004919298,"about_ca_topic_score_gemma":0.005493769,"domain_scores_codex":[0.9998145,0.00003000287,0.00001252926,0.00003545074,0.00007497567,0.00003267099],"domain_scores_gemma":[0.9998789,0.00003525372,0.00002099935,0.000006933679,0.00003548809,0.00002237999],"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":[0.001877886,0.000532203,0.01842522,0.0009341621,0.0004475792,0.0009956866,0.0004838927,0.01139865,0.939329,0.001886628,0.005538474,0.0181507],"study_design_scores_gemma":[0.0009260696,0.001092897,0.1243598,0.0002001458,0.0006215043,0.003356488,0.0009120078,0.1076448,0.7097908,0.001518211,0.04934104,0.0002362474],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9850486,0.00739911,0.00251749,0.0003180758,0.00006081215,0.00002729801,0.001777462,0.0001512625,0.00269972],"genre_scores_gemma":[0.9798759,0.003041252,0.005419683,0.0002291869,0.00001553184,0.00004810262,0.009272682,0.0000361778,0.00206148],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004919298,"threshold_uncertainty_score":0.009781301,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01487803196184795,"score_gpt":0.3083584255354559,"score_spread":0.2934803935736079,"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."}}