{"id":"W2328017727","doi":"10.1021/bm2009476","title":"Molecular Dynamics Simulations of PEI Mediated DNA Aggregation","year":2011,"lang":"en","type":"article","venue":"Biomacromolecules","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":42,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Western Canada Research Grid; Innovation PEI","keywords":"Molecular dynamics; DNA; Chemistry; Biophysics; Computational biology; Computational chemistry; Biology; Biochemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00005612783,0.0001606171,0.0001359313,0.00004758482,0.00004302464,0.000007427175,0.0002239003,0.0001856922,0.00005948808],"category_scores_gemma":[0.00009885319,0.000165363,0.0001049989,0.0001394113,0.0001480734,0.000004111651,0.0000914605,0.00004245703,0.000009885413],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001781178,"about_ca_system_score_gemma":0.00006810755,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002303811,"about_ca_topic_score_gemma":0.00002508022,"domain_scores_codex":[0.9991094,0.00003095201,0.000252519,0.0002744114,0.0001405598,0.0001921532],"domain_scores_gemma":[0.9992737,0.000008311339,0.0001386756,0.0003790642,0.0001194073,0.00008084903],"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":[0.00003968772,0.0001000158,0.001253184,0.00002144386,0.00006620241,0.00001047304,0.00007822032,0.000007547268,0.9971954,0.0003426067,0.0000698396,0.0008154342],"study_design_scores_gemma":[0.0003471212,0.0001029697,0.00107334,0.00001441567,0.0000295944,0.00001272541,0.00005388843,0.0005776614,0.9968795,0.0002478006,0.0004717155,0.0001893339],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9907855,0.0002594312,0.003393402,0.00002622784,0.00006319179,0.00009809186,0.0001313163,0.00002469607,0.005218113],"genre_scores_gemma":[0.9976893,0.00001850131,0.001365895,0.00005208786,0.00003149428,0.000005805699,0.0007046004,0.0000299226,0.0001024147],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006903749,"threshold_uncertainty_score":0.6743307,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01012913477080554,"score_gpt":0.2229433026483599,"score_spread":0.2128141678775544,"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."}}