{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008012077,0.0001919594,0.000515923,0.000564489,0.0001995759,0.0004922046,0.0004159979,0.0002364607,0.0002376341],"category_scores_gemma":[0.001915339,0.0001936608,0.0001527356,0.0005244479,0.0003548123,0.000448359,0.0005124173,0.0002946668,0.00009743998],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002634472,"about_ca_system_score_gemma":0.0002138384,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005841959,"about_ca_topic_score_gemma":0.0009937349,"domain_scores_codex":[0.9996966,0.0001095213,0.00001667432,0.00007255135,0.00007365923,0.00003106132],"domain_scores_gemma":[0.9991559,0.0004270061,0.0001343733,0.0001787301,0.00006513844,0.00003886116],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001691641,0.000351956,0.1202047,0.0003977818,0.0002523562,0.0004121101,0.0008911992,0.09165299,0.512275,0.005523746,0.002230361,0.2641162],"study_design_scores_gemma":[0.00008612217,0.0003176464,0.09700414,0.00002093256,0.00008587588,0.0005373174,0.000171588,0.7357715,0.1587489,0.004855455,0.002349043,0.00005146004],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9730871,0.0001981655,0.02570779,0.00003481743,0.000002379721,0.000007653221,0.0001047595,0.0005468508,0.0003104369],"genre_scores_gemma":[0.9746148,0.00012926,0.02462519,0.00001149992,0.000003562997,0.00001121896,0.0004439891,0.00004118207,0.0001191855],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008012077,"threshold_uncertainty_score":0.004237235,"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."}}