{"id":"W3213936528","doi":"","title":"Molecular Docking and Dynamics of CePNKP Phosphatase Binding to the ss-5-Mer TCCTC","year":2021,"lang":"en","type":"article","venue":"Student Research Proceedings","topic":"Genetics, Aging, and Longevity in Model Organisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"MacEwan University","funders":"","keywords":"Molecular dynamics; Phosphatase; DNA ligase; DNA; MODELLER; Chemistry; Docking (animal); Biophysics; Crystallography; Enzyme; Stereochemistry; Biochemistry; Homology modeling; Biology; Computational 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":[0.0003550799,0.0005240958,0.0008976382,0.0004101293,0.001539655,0.001117643,0.001579196,0.0009451052,0.007843582],"category_scores_gemma":[0.0007042355,0.000494694,0.0005568131,0.0003834217,0.0007516856,0.0006956125,0.0007444212,0.001241773,0.0005053323],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002385554,"about_ca_system_score_gemma":0.001959033,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02802209,"about_ca_topic_score_gemma":0.01908053,"domain_scores_codex":[0.9998186,0.0000256649,0.000005920596,0.00003048501,0.00005258653,0.00006669856],"domain_scores_gemma":[0.9997519,0.00006518052,0.00002353713,0.0000151156,0.00004754691,0.00009678058],"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":[0.0008403932,0.000655198,0.008203707,0.0001792245,0.0001850422,0.001038,0.0004368149,0.940105,0.02829452,0.009909214,0.00369742,0.00645538],"study_design_scores_gemma":[0.00008828971,0.0001115465,0.001085067,0.00001176919,0.0000165439,0.00002682391,0.0000893918,0.9951723,0.002404832,0.0004068882,0.000565744,0.00002081074],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9856811,0.00015086,0.005106117,0.0003883826,0.00006577933,0.00005527713,0.000523422,0.0002506515,0.007778375],"genre_scores_gemma":[0.9899339,0.0002015872,0.006800345,0.00007024784,0.000007666153,0.00007146181,0.0008110921,0.0001116311,0.001992001],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02802209,"threshold_uncertainty_score":0.05571795,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03451538853300814,"score_gpt":0.3613751882090659,"score_spread":0.3268597996760578,"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."}}