{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006898373,0.0001763339,0.0003233244,0.0001366654,0.0003170323,0.00003679881,0.0003780024,0.000132988,0.000002210579],"category_scores_gemma":[0.00008203316,0.0001451618,0.00007744752,0.0003578904,0.0006186158,0.0000124455,0.0001178854,0.00009323948,5.226257e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002523248,"about_ca_system_score_gemma":0.0002120331,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003794669,"about_ca_topic_score_gemma":0.00001813113,"domain_scores_codex":[0.9984425,0.00007892257,0.0003743855,0.0004187586,0.000319288,0.0003661852],"domain_scores_gemma":[0.9990318,0.00002247513,0.0003827993,0.0003163443,0.0001681591,0.00007842211],"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":[0.0002801629,0.00007667593,0.006947621,0.00008026318,0.00001734531,0.000002973405,0.00006835029,0.00005960969,0.9916293,0.0007073436,0.00002073675,0.0001095911],"study_design_scores_gemma":[0.0007502747,0.001253688,0.00109586,0.0001006809,0.00001741002,0.00001317391,0.00007057295,0.00003172633,0.995869,0.0005734415,0.00003644813,0.0001877568],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978072,0.0002937466,0.0008116029,0.00001084526,0.00003330725,0.0008611756,0.00004477875,0.00001048645,0.0001268719],"genre_scores_gemma":[0.9841697,0.000001543363,0.01566377,0.000003355726,0.00002350087,0.00003824464,0.00003501576,0.00001812615,0.00004679333],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01485217,"threshold_uncertainty_score":0.5919528,"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."}}