{"id":"W2334450268","doi":"10.1021/jp203248j","title":"Effects of Extending the Computational Model on DNA–Protein T-shaped Interactions: The Case of Adenine–Histidine Dimers","year":2011,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge","funders":"Natural Sciences and Engineering Research Council of Canada; Alberta Innovates","keywords":"Histidine; DNA; Chemistry; Computational biology; Biochemistry; Computational chemistry; Biophysics; Computer science; Biology; Amino acid","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":[0.001370539,0.001129913,0.001746456,0.0003647076,0.0008288654,0.001108257,0.001662834,0.001485309,0.002469403],"category_scores_gemma":[0.005994398,0.0006405367,0.001015828,0.0007106751,0.0008838181,0.00127794,0.00124288,0.001819489,0.0003132214],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006999593,"about_ca_system_score_gemma":0.001259584,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01227159,"about_ca_topic_score_gemma":0.007099369,"domain_scores_codex":[0.9994833,0.000259421,0.00002998258,0.00006406875,0.00008282159,0.00008024297],"domain_scores_gemma":[0.9970708,0.002017397,0.0001609108,0.0002963947,0.0002904954,0.0001639753],"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":[0.0003798214,0.0001418444,0.002057347,0.0001091853,0.00006025253,0.0002804162,0.0001175073,0.9893217,0.003524628,0.001377635,0.0001787899,0.002450888],"study_design_scores_gemma":[0.00009605574,0.0003471072,0.001001132,0.00003715944,0.00007148278,0.00003851697,0.0001483581,0.9935265,0.003290192,0.0009148574,0.000497398,0.00003135585],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9898155,0.0003307929,0.004642875,0.0002619911,0.00003844167,0.00004675948,0.0002481338,0.000114209,0.004501287],"genre_scores_gemma":[0.9930615,0.0003500626,0.005501038,0.0001166765,0.00001410552,0.00008073978,0.0002592848,0.0000697984,0.0005467886],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01227159,"threshold_uncertainty_score":0.02440029,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01630870744551489,"score_gpt":0.2634918570604265,"score_spread":0.2471831496149117,"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."}}