{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003060599,0.0001194457,0.0002099447,0.0000500574,0.00007825884,0.00002829097,0.00005504377,0.00007769198,0.000003587687],"category_scores_gemma":[0.0001789962,0.0001040974,0.00004174445,0.00005686143,0.00006926313,0.00002424474,0.00006409726,0.0001472197,3.007764e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001317979,"about_ca_system_score_gemma":0.00001942912,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001160716,"about_ca_topic_score_gemma":2.447865e-7,"domain_scores_codex":[0.9992347,0.00009953388,0.0003196064,0.0001478172,0.0000978585,0.0001004803],"domain_scores_gemma":[0.9993498,0.0001548122,0.0002129942,0.00006323842,0.00006671322,0.000152468],"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":[0.0004852868,0.00004317323,0.005303961,0.00003163619,0.0000766904,0.000004263703,0.0004300317,0.00003197589,0.9826106,0.00002985473,0.00006868658,0.01088381],"study_design_scores_gemma":[0.001778764,0.0005188129,0.01743127,0.0001864506,0.0001619959,0.0006342418,0.00100566,0.002968695,0.9704412,0.004037825,0.0004925301,0.0003425592],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9815154,0.0003431748,0.01787447,0.00009043964,0.00002588842,0.00005871035,0.000005008907,0.000005412461,0.00008149909],"genre_scores_gemma":[0.9978448,0.00004435213,0.001815618,0.00005681366,0.0001874893,0.000001291672,0.00002615015,0.0000102585,0.00001321618],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01632941,"threshold_uncertainty_score":0.4244968,"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."}}