{"id":"W2316656159","doi":"10.1021/jp503381r","title":"Lipid-Modified Polyethylenimine-Mediated DNA Attraction Evaluated by Molecular Dynamics Simulations","year":2014,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"RNA Interference and Gene Delivery","field":"Biochemistry, Genetics and Molecular Biology","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"National Institutes of Natural Sciences; Natural Sciences and Engineering Research Council of Canada; Alberta Innovates - Technology Futures; Compute Canada","keywords":"Polyethylenimine; Chemistry; DNA; Molecular dynamics; Oleic acid; Umbrella sampling; Chromatography; Biochemistry; Biophysics; Computational chemistry; Biology; 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":[0.0003635735,0.0004942163,0.0006587931,0.00041767,0.0005978853,0.0004605688,0.000792142,0.0008234372,0.001628452],"category_scores_gemma":[0.001111127,0.0003174008,0.0004691372,0.0004673643,0.0004277696,0.0005223042,0.0003312442,0.0006022818,0.0001753074],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009589933,"about_ca_system_score_gemma":0.001125092,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.008755062,"about_ca_topic_score_gemma":0.006279571,"domain_scores_codex":[0.9998848,0.00003336881,0.000004869525,0.00001568521,0.00003086446,0.00003036732],"domain_scores_gemma":[0.9995851,0.0002192523,0.00003519426,0.0000221919,0.00008617815,0.00005219069],"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":[0.000177425,0.0001540354,0.001600036,0.0001171082,0.00006108399,0.0001830922,0.0001035167,0.9776884,0.0133603,0.003765473,0.0002255204,0.002564025],"study_design_scores_gemma":[0.00002186895,0.00003172405,0.0003116689,0.000004585235,0.000007625725,0.000005520747,0.00001093198,0.997636,0.00156722,0.0002409192,0.0001558956,0.000006070442],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9810855,0.0002498954,0.01249954,0.000139337,0.00002577518,0.00007663783,0.0002646754,0.0001118718,0.00554684],"genre_scores_gemma":[0.9868516,0.0002594976,0.01115693,0.00005312724,0.000008965906,0.0002094075,0.0003501217,0.00005273145,0.001057604],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008755062,"threshold_uncertainty_score":0.01740819,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008028584649598545,"score_gpt":0.2616482649269273,"score_spread":0.2536196802773288,"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."}}