{"id":"W2897087803","doi":"10.1101/438994","title":"The Dynamic Conformational Landscapes of the Protein Methyltransferase SETD8","year":2018,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"Epigenetics and DNA Methylation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"DOD Peer Reviewed Cancer Research Program; Biological and Environmental Research; National Cancer Institute; National Research Council Canada; Canadian Institutes of Health Research; Novartis Pharma; National Institutes of Health; K. C. Wong Education Foundation; Ministero dello Sviluppo Economico; Chinese Academy of Sciences; U.S. Department of Energy; National Natural Science Foundation of China; European Federation of Pharmaceutical Industries and Associations; Argonne National Laboratory; Western Economic Diversification Canada; Wellcome Trust; Canadian Light Source; Fundação de Amparo à Pesquisa do Estado de São Paulo; U.S. Department of Defense; Genome Canada; Natural Sciences and Engineering Research Council of Canada; Pfizer; University of Saskatchewan; Ontario Ministry of Economic Development and Innovation; University of Chicago; Marie-Josée and Henry R. Kravis Center for Molecular Oncology; Memorial Sloan-Kettering Cancer Center","keywords":"Context (archaeology); Chemistry; Protein dynamics; Biophysics; Protein structure; Molecular dynamics; Computational biology; Conformational ensembles; Conformational change; Histone; Threading (protein sequence); Biochemistry; Biology; Computational chemistry; Gene","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":[0.0001376939,0.0001910618,0.0002182402,0.0001448936,0.0003353895,0.0003224033,0.0003802447,0.0002897194,0.001476174],"category_scores_gemma":[0.000287676,0.0002039117,0.0001925037,0.000175024,0.000307351,0.0004257746,0.0002229973,0.0006088803,0.0001375607],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009872519,"about_ca_system_score_gemma":0.0003387694,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002523658,"about_ca_topic_score_gemma":0.002097404,"domain_scores_codex":[0.9999571,0.000005745334,0.000002059575,0.00001266679,0.00001312713,0.000009363151],"domain_scores_gemma":[0.9999416,0.00002044134,0.000006910045,0.000008121076,0.000008787463,0.00001413444],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0004586778,0.0002132532,0.01335757,0.0001532048,0.0001500256,0.0004575775,0.0002679744,0.4975218,0.4647297,0.009881105,0.001090344,0.01171874],"study_design_scores_gemma":[0.00006529926,0.0001422599,0.005766452,0.000008504605,0.00001999584,0.00006717269,0.00007467188,0.9115044,0.0782419,0.0026092,0.00147568,0.0000244686],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9927253,0.0000910715,0.005966152,0.0001252042,0.000005933932,0.000006084049,0.000219899,0.00007711432,0.0007831909],"genre_scores_gemma":[0.9964162,0.00008579916,0.002888822,0.00001559897,0.000001192753,0.000008774772,0.0003294028,0.00002240217,0.0002317903],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002523658,"threshold_uncertainty_score":0.007162988,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006563899956814305,"score_gpt":0.2183721850419755,"score_spread":0.2118082850851612,"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."}}