{"id":"W2027030037","doi":"10.1016/j.str.2014.11.004","title":"Discovery of Substrates for a SET Domain Lysine Methyltransferase Predicted by Multistate Computational Protein Design","year":2014,"lang":"en","type":"article","venue":"Structure","topic":"Epigenetics and DNA Methylation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":42,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Ottawa","funders":"","keywords":"Methyltransferase; Lysine; Domain (mathematical analysis); Computational biology; Set (abstract data type); Protein design; Protein domain; Chemistry; Biochemistry; Computer science; Protein structure; Biology; Mathematics; Methylation; Amino acid; Programming language; DNA","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":[0.0006483714,0.0007447671,0.000726536,0.0004920491,0.0004861618,0.001009561,0.0006283377,0.0008741149,0.001390837],"category_scores_gemma":[0.001609512,0.0004497426,0.0007030382,0.0003930403,0.0002634861,0.0005506374,0.0003375845,0.000732688,0.0003944571],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009575366,"about_ca_system_score_gemma":0.0007403458,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001015165,"about_ca_topic_score_gemma":0.001690293,"domain_scores_codex":[0.9997719,0.00006411024,0.00001537161,0.00005158029,0.00007098271,0.00002605967],"domain_scores_gemma":[0.999595,0.0001925109,0.00005907894,0.00004328809,0.00007003899,0.00004009408],"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":[0.003602157,0.0006979585,0.06118217,0.0009867196,0.0006334792,0.002280781,0.000183137,0.4616325,0.3704017,0.03053048,0.003818132,0.06405075],"study_design_scores_gemma":[0.00007064363,0.0001345535,0.001449891,0.000008153593,0.00005962637,0.0001199875,0.00003741729,0.9224324,0.07291342,0.00211047,0.0006486319,0.00001486479],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9473894,0.0003229959,0.04909594,0.0002303409,0.00003387188,0.00004628492,0.0007063547,0.0007358076,0.001439026],"genre_scores_gemma":[0.9739405,0.0001048514,0.02470921,0.00001896374,0.000003079468,0.00002196271,0.000913742,0.00004286337,0.0002447449],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001390837,"threshold_uncertainty_score":0.006947398,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007984060447699882,"score_gpt":0.2459380039637463,"score_spread":0.2379539435160464,"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."}}