{"id":"W2322205711","doi":"10.1021/bi401310w","title":"Standard Role for a Conserved Aspartate or More Direct Involvement in Deglycosylation? An ONIOM and MD Investigation of Adenine–DNA Glycosylase","year":2013,"lang":"en","type":"article","venue":"Biochemistry","topic":"DNA Repair Mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":28,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge","funders":"","keywords":"ONIOM; Chemistry; Biochemistry; DNA; DNA glycosylase; DNA repair; Catalysis","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":[0.0001895773,0.0004379959,0.0004815324,0.0001126482,0.0002679331,0.0005415466,0.0008864913,0.0006186748,0.002223333],"category_scores_gemma":[0.0003818075,0.000176541,0.000407706,0.0001319642,0.0005374016,0.001115005,0.0004192263,0.0007115636,0.0002643082],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003850095,"about_ca_system_score_gemma":0.0003462533,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001544573,"about_ca_topic_score_gemma":0.0006695687,"domain_scores_codex":[0.9999473,0.000007817952,0.000003293382,0.00001523515,0.00001167649,0.00001460274],"domain_scores_gemma":[0.9999417,0.00001822523,0.000009907033,0.00000943178,0.000008049446,0.00001266447],"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":[0.001848162,0.0006151621,0.01551906,0.00211059,0.0002815785,0.002620507,0.0006605018,0.415033,0.2910773,0.2167477,0.002864604,0.05062181],"study_design_scores_gemma":[0.0001582942,0.0005930411,0.006159156,0.0001226717,0.00009911487,0.0003612735,0.0005148136,0.9092033,0.03325205,0.0424371,0.007027949,0.00007118424],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9674116,0.003263082,0.01853966,0.0009706437,0.000119759,0.00002716739,0.0002489315,0.00008583158,0.009333471],"genre_scores_gemma":[0.9938798,0.001623745,0.003414061,0.00007670334,0.00001370622,0.00001978747,0.0001708693,0.00002266272,0.0007785064],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002223333,"threshold_uncertainty_score":0.007437825,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01362657678807127,"score_gpt":0.2514633510967848,"score_spread":0.2378367743087135,"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."}}