{"id":"W1884246999","doi":"10.1111/j.1742-4658.2011.08440.x","title":"Solution structure of a truncated anti‐MUC1 DNA aptamer determined by mesoscale modeling and NMR","year":2011,"lang":"en","type":"article","venue":"FEBS Journal","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"University Health Network; Ontario Institute for Cancer Research","funders":"","keywords":"Aptamer; Footprinting; Chemistry; Nuclear magnetic resonance spectroscopy; Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid; Nucleotide; Two-dimensional nuclear magnetic resonance spectroscopy; Oligonucleotide; Protein secondary structure; Crystallography; Molecular dynamics; Heteronuclear single quantum coherence spectroscopy; Proton NMR; Stereochemistry; Base pair; DNA; Biochemistry; Biology; Computational chemistry; Genetics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006575788,0.000115028,0.000134711,0.00002121502,0.00007178319,0.0000131601,0.0001181812,0.0001549993,0.00006476564],"category_scores_gemma":[0.0000236541,0.00009889339,0.00005912545,0.00003258179,0.00006248993,0.000006985845,0.00005169519,0.0001245924,5.626497e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000006450624,"about_ca_system_score_gemma":0.00003124825,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008554236,"about_ca_topic_score_gemma":0.000002064716,"domain_scores_codex":[0.99935,0.00002002102,0.0002082531,0.0001550753,0.0000944884,0.0001722085],"domain_scores_gemma":[0.9995725,0.000001796117,0.0001207956,0.0001306586,0.00007672411,0.00009751844],"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":[0.00007162618,0.00002443611,0.001303525,0.00001204251,0.00004055737,0.000002598804,0.0000843023,0.000007578287,0.9963719,0.000001164247,0.0009848353,0.001095389],"study_design_scores_gemma":[0.000586178,0.0001138467,0.0004935333,0.00001852539,0.00003518727,0.0002602813,0.00006859887,0.002209978,0.9953638,0.0001381654,0.0005744714,0.0001374019],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9963405,0.0006831744,0.002514147,0.00002150901,0.00006526832,0.00003213486,0.00002412374,0.000004772895,0.0003143468],"genre_scores_gemma":[0.9983381,0.0001872812,0.001133771,0.00004416934,0.0001187803,4.606754e-7,0.00002881664,0.00001475406,0.0001338867],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0022024,"threshold_uncertainty_score":0.4032755,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01023700897124517,"score_gpt":0.2103432818649627,"score_spread":0.2001062728937176,"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."}}