{"id":"W2054781186","doi":"10.1021/ct8002332","title":"Remarkably Strong T-Shaped Interactions between Aromatic Amino Acids and Adenine: Their Increase upon Nucleobase Methylation and a Comparison to Stacking","year":2008,"lang":"en","type":"article","venue":"Journal of Chemical Theory and Computation","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":40,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge","funders":"","keywords":"Nucleobase; Stacking; Aromatic amino acids; Chemistry; Amino acid; DNA; Stereochemistry; Tryptophan; Histidine; Crystallography; Computational chemistry; Biochemistry; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001619306,0.0004128101,0.0003327251,0.0003345053,0.0003638911,0.0002565374,0.0003844225,0.000484588,0.003070857],"category_scores_gemma":[0.0006248591,0.0002674815,0.000235772,0.0006069891,0.0003273707,0.0003915686,0.0004830272,0.000495965,0.0003622337],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001649666,"about_ca_system_score_gemma":0.0001663894,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007103548,"about_ca_topic_score_gemma":0.001142662,"domain_scores_codex":[0.9998499,0.00001756987,0.000006342852,0.00003892789,0.00005700287,0.00003032844],"domain_scores_gemma":[0.9996427,0.0001182746,0.00007799507,0.00003282123,0.00007429464,0.00005382756],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004478197,0.00005317988,0.004199683,0.0004086718,0.00009412198,0.0004261328,0.0002517456,0.01270263,0.9652086,0.001443263,0.0004070102,0.014357],"study_design_scores_gemma":[0.00004156952,0.0007868939,0.0541395,0.00003452863,0.0001433345,0.0009723759,0.0005402131,0.1054157,0.8312371,0.0030787,0.003505583,0.0001045375],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.990841,0.0008784523,0.005560329,0.00004283867,0.00001738127,0.00001366936,0.0001947736,0.0001252375,0.002326177],"genre_scores_gemma":[0.9966977,0.0002864146,0.002342884,0.00001193261,0.000003563386,0.00001577492,0.0001557964,0.00002750872,0.0004584948],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003070857,"threshold_uncertainty_score":0.01027304,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01737162061664597,"score_gpt":0.2871734796098054,"score_spread":0.2698018589931594,"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."}}