{"id":"W3190330215","doi":"10.1016/j.omtn.2021.07.015","title":"The role of SAXS and molecular simulations in 3D structure elucidation of a DNA aptamer against lung cancer","year":2021,"lang":"en","type":"article","venue":"Molecular Therapy — Nucleic Acids","topic":"Advanced biosensing and bioanalysis techniques","field":"Biochemistry, Genetics and Molecular Biology","cited_by":28,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Russian Foundation for Basic Research; Japan Society for the Promotion of Science; Horizon 2020 Framework Programme; Tomsk State University; Russian Science Foundation; Bundesministerium für Bildung und Forschung; Office of Science; Deutsches Elektronen-Synchrotron; Argonne National Laboratory; U.S. Department of Energy; European Commission; China Scholarship Council","keywords":"Aptamer; Small-angle X-ray scattering; Oligonucleotide; DNA; Chemistry; Molecule; RNA; Molecular dynamics; Fragment molecular orbital; Biophysics; Scattering; Biology; Molecular orbital; Biochemistry; Gene; Computational chemistry; Molecular biology; Physics","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":[0.00009540201,0.000167648,0.0002132303,0.00005703216,0.0000654676,0.00001777303,0.0001327149,0.0001613925,0.000004550003],"category_scores_gemma":[0.00004936141,0.000134022,0.0001031702,0.0002702032,0.0001565874,0.000006007279,0.0000743597,0.00009977388,5.64426e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001655035,"about_ca_system_score_gemma":0.00006574009,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002267623,"about_ca_topic_score_gemma":0.00006794988,"domain_scores_codex":[0.9989219,0.0001217299,0.0002998041,0.0003101585,0.0001694485,0.0001769169],"domain_scores_gemma":[0.9991646,0.00001468293,0.0001626416,0.0004288603,0.0001938409,0.00003538046],"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":[0.00005583902,0.00003600935,0.003070855,0.000008730768,0.0001385277,0.000004296823,0.00005327355,0.0004600086,0.9662504,0.0001073086,0.000006857751,0.02980792],"study_design_scores_gemma":[0.0003755071,0.0000574306,0.001137909,0.00002963104,0.0000309193,0.000002887137,0.00008308476,0.001875421,0.9924959,0.000391589,0.003370724,0.0001490124],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9881647,0.009302409,0.00202094,0.0001705174,0.00002099012,0.0001611979,0.00004490441,0.000009799595,0.0001045702],"genre_scores_gemma":[0.9948174,0.002230171,0.002516736,0.0002612809,0.00002020876,0.00000621712,0.0001021347,0.00002616139,0.00001971203],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02965891,"threshold_uncertainty_score":0.5465259,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003521958992351974,"score_gpt":0.2554890795501412,"score_spread":0.2519671205577892,"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."}}