{"id":"W3033364368","doi":"10.1101/2020.06.02.130849","title":"A “Deep Dive” into the SARS-Cov-2 Polymerase Assembly: Identifying Novel Allosteric Sites and Analyzing the Hydrogen Bond Networks and Correlated Dynamics","year":2020,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"SARS-CoV-2 and COVID-19 Research","field":"Medicine","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Polymerase; Allosteric regulation; Active site; Druggability; RNA-dependent RNA polymerase; RNA polymerase; Binding site; Computational biology; Biology; Nucleotide; Biophysics; Chemistry; Genetics; Biochemistry; Enzyme; RNA; Gene","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":[0.0001727604,0.0003328739,0.0002593456,0.0001612433,0.0001604261,0.0002756231,0.0003354257,0.0003464937,0.001138856],"category_scores_gemma":[0.0002471938,0.0002097027,0.0004503136,0.0001696479,0.0002486524,0.0004906116,0.0002453215,0.0005614638,0.0001414784],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000213362,"about_ca_system_score_gemma":0.0002585285,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001373882,"about_ca_topic_score_gemma":0.001070946,"domain_scores_codex":[0.9999725,0.000005454071,0.000001643525,0.000005965219,0.000008105158,0.000006327986],"domain_scores_gemma":[0.9999275,0.00001898853,0.0000123023,0.00001512053,0.00001131405,0.00001477639],"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":[0.0002173366,0.0001440729,0.01010694,0.0002436412,0.0001138974,0.0004325069,0.0002899999,0.2254459,0.7421665,0.004897892,0.0006355951,0.01530577],"study_design_scores_gemma":[0.00001618454,0.0001022487,0.006481855,0.00001433678,0.00002180636,0.0001025484,0.00007864087,0.9382186,0.05179086,0.00194878,0.001200957,0.00002315093],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8891047,0.0005699259,0.1077072,0.0002997998,0.00002734708,0.00003139613,0.0002332705,0.0004725235,0.001553923],"genre_scores_gemma":[0.961491,0.0005190949,0.03705909,0.00003211387,0.000007132145,0.00002591047,0.000339543,0.00007553323,0.0004506713],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001373882,"threshold_uncertainty_score":0.003809869,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03274677930876259,"score_gpt":0.2879626836869367,"score_spread":0.2552159043781741,"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."}}