{"id":"W2058743222","doi":"10.1371/journal.pone.0010126","title":"Discovery of Selective Inhibitors Against EBNA1 via High Throughput In Silico Virtual Screening","year":2010,"lang":"en","type":"article","venue":"PLoS ONE","topic":"Viral-associated cancers and disorders","field":"Medicine","cited_by":72,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Cancer Institute; National Institutes of Health; National Institute of Neurological Disorders and Stroke; University of Toronto; National Natural Science Foundation of China","keywords":"Virtual screening; Biology; In silico; DNA; Lytic cycle; Molecular biology; Computational biology; Virology; Virus; Drug discovery; Genetics; Biochemistry; Gene","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000947221,0.001882079,0.002329322,0.001108642,0.0004491347,0.001306554,0.001152006,0.0006578473,0.002151754],"category_scores_gemma":[0.001491969,0.0005036809,0.001313277,0.0008188308,0.0003783761,0.0004897451,0.0006299696,0.0006461845,0.0003719454],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007970618,"about_ca_system_score_gemma":0.00107662,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001597327,"about_ca_topic_score_gemma":0.002714452,"domain_scores_codex":[0.9996526,0.0001616145,0.00001620696,0.00004715336,0.00008081647,0.00004160484],"domain_scores_gemma":[0.999416,0.0004214054,0.00005576673,0.00002008286,0.00004956818,0.00003719566],"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":[0.001343292,0.0009138137,0.004240188,0.00103324,0.0009471325,0.0004775585,0.00007110339,0.9067332,0.03216267,0.002045841,0.0017628,0.04826927],"study_design_scores_gemma":[0.0007618486,0.001636651,0.001125917,0.00003817589,0.0008619315,0.0002628145,0.00005570496,0.9689091,0.02093987,0.001798311,0.003557764,0.00005180101],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8630803,0.007184924,0.1086973,0.0008623804,0.00009826473,0.0009644823,0.003052942,0.002662898,0.01339643],"genre_scores_gemma":[0.9368806,0.00253431,0.05578509,0.0002035748,0.00002436723,0.0006330955,0.002428667,0.00007646697,0.001433846],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002329322,"threshold_uncertainty_score":0.007198334,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01534818618600545,"score_gpt":0.2312128466431715,"score_spread":0.2158646604571661,"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."}}