{"id":"W2115377037","doi":"10.1039/c5nr03665h","title":"Electrostatics of DNA nucleotide–carbon nanotube hybrids evaluated from QM:MM simulations","year":2015,"lang":"en","type":"article","venue":"Nanoscale","topic":"Carbon Nanotubes in Composites","field":"Materials Science","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Western Canada Research Grid; Compute Canada","keywords":"Carbon nanotube; Biomolecule; Electrostatics; Nucleotide; Static electricity; DNA; Nanoelectronics; Nanotechnology; Materials science; Macromolecule; Nucleobase; Chemical physics; Chemistry; Physics; Physical chemistry; Gene; 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":[0.0004578573,0.0002388176,0.0004217462,0.0001285689,0.00007215143,0.00006772265,0.000461428,0.0001262694,0.0003431924],"category_scores_gemma":[0.0005930663,0.0002358553,0.00009335471,0.0004404347,0.0002541844,0.000165913,0.0001852166,0.0001333696,0.0001063944],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001717777,"about_ca_system_score_gemma":0.0002674379,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005513493,"about_ca_topic_score_gemma":0.0001025412,"domain_scores_codex":[0.9974642,0.000208432,0.0006423882,0.0004401987,0.0008209676,0.0004237584],"domain_scores_gemma":[0.9979252,0.000494328,0.0002322765,0.0007165486,0.0004389171,0.0001927663],"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":[0.00008429497,0.0001404874,0.003516959,0.000008510066,0.00001592464,0.00000502485,0.0004561486,0.001572186,0.992677,0.0001621249,0.001194973,0.0001663469],"study_design_scores_gemma":[0.001038514,0.0002240491,0.000874418,0.00003937982,0.00008134518,0.000003528747,0.00005086677,0.03238353,0.9604167,0.003746996,0.000874323,0.0002663876],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9953954,0.0002989754,0.0003533384,0.000171837,0.001027897,0.0003156688,0.0002532817,0.0001770929,0.002006497],"genre_scores_gemma":[0.995482,0.000005226807,0.00383837,0.0001179215,0.0001544685,0.00001073051,0.00006696406,0.0000458299,0.0002785408],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03226036,"threshold_uncertainty_score":0.9617901,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02519938460478776,"score_gpt":0.2805792441414603,"score_spread":0.2553798595366726,"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."}}