{"id":"W2105732409","doi":"10.1002/pro.423","title":"Automated electron‐density sampling reveals widespread conformational polymorphism in proteins","year":2010,"lang":"en","type":"article","venue":"Protein Science","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":182,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute of General Medical Sciences; Natural Sciences and Engineering Research Council of Canada; National Institutes of Health; National Science Foundation","keywords":"Conformational isomerism; Electron density; Dihedral angle; Resolution (logic); Chemistry; Crystallography; Protein structure; Electron; Physics; Molecule; Computer science; Artificial intelligence; Hydrogen bond","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002009799,0.0001541157,0.0001693329,0.0002399224,0.000395589,0.0002211591,0.000531939,0.00009499917,0.0002828502],"category_scores_gemma":[0.0008129438,0.000133211,0.00002844432,0.000805008,0.0005281009,0.001137584,0.0001173208,0.0003240478,0.0001860758],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008846824,"about_ca_system_score_gemma":0.0003740484,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000254494,"about_ca_topic_score_gemma":0.0001825139,"domain_scores_codex":[0.9979223,0.00003980834,0.0003561821,0.0004471738,0.0006686422,0.000565867],"domain_scores_gemma":[0.9990892,0.00004221344,0.000172708,0.0003707146,0.0001983965,0.0001267161],"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":[0.00001893286,0.0000155016,0.0006013709,0.00001061348,4.747075e-7,0.000001511485,0.0001616184,0.0000216703,0.9893826,0.009410587,0.00003128176,0.0003438903],"study_design_scores_gemma":[0.0002157339,0.00004843639,0.02318115,0.0000350934,0.000001766366,0.00003203509,0.00001406671,0.001284656,0.9691231,0.005684959,0.0001991494,0.0001798799],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9947367,0.00001290942,0.001548146,0.0002681164,0.0005440085,0.0007559093,0.000006551957,0.0003325039,0.001795212],"genre_scores_gemma":[0.9805557,4.090929e-7,0.01896982,0.0001417756,0.0001030072,0.0000924694,0.000003648943,0.000008046115,0.0001251678],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02257978,"threshold_uncertainty_score":0.5432186,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01258052241497128,"score_gpt":0.2711711838353782,"score_spread":0.258590661420407,"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."}}