{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004038808,0.0005147957,0.0007336257,0.0005143233,0.0008553935,0.0006513641,0.0009045536,0.001238605,0.00236214],"category_scores_gemma":[0.001729662,0.0004098325,0.0006361181,0.000601979,0.0006762188,0.0006903066,0.0005385836,0.001145614,0.0002133063],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001270018,"about_ca_system_score_gemma":0.001350867,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01701931,"about_ca_topic_score_gemma":0.01014763,"domain_scores_codex":[0.9998467,0.00004485086,0.000007384956,0.00002036428,0.00003455509,0.00004606517],"domain_scores_gemma":[0.9992924,0.0003818665,0.00004723181,0.00003525231,0.0001397099,0.0001035953],"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":[0.0001539387,0.0001385318,0.002622118,0.00005247906,0.00006105737,0.000143162,0.000106106,0.9871821,0.00213247,0.004955139,0.0007232161,0.001729727],"study_design_scores_gemma":[0.00003693307,0.00002249459,0.0003776937,0.000004183088,0.000004703603,0.000004470426,0.00001651532,0.9984264,0.0002893562,0.0005645513,0.0002476115,0.00000514936],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.975912,0.000379829,0.009988554,0.0007565992,0.00008161174,0.00007781789,0.0007981482,0.0001868124,0.01181847],"genre_scores_gemma":[0.987104,0.0002262351,0.009267149,0.0001748335,0.00001824124,0.0002161763,0.0009601976,0.00006545334,0.001967731],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01701931,"threshold_uncertainty_score":0.03384048,"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."}}