{"id":"W2005856399","doi":"10.1016/j.chembiol.2012.07.007","title":"Identification of the Binding Site of Brucella VirB8 Interaction Inhibitors","year":2012,"lang":"en","type":"article","venue":"Chemistry & Biology","topic":"Brucella: diagnosis, epidemiology, treatment","field":"Veterinary","cited_by":69,"is_retracted":false,"has_abstract":false,"ca_institutions":"McMaster University; Université de Montréal","funders":"Canadian Institutes of Health Research","keywords":"Virulence; Docking (animal); In silico; Biology; Secretion; Binding site; Active site; Virtual screening; Intracellular; Virulence factor; Small molecule; Pathogen; Microbiology; Plasma protein binding; Computational biology; Cell biology; Biochemistry; Drug discovery; Enzyme; Gene","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004702216,0.0001562314,0.00029092,0.00003232591,0.00005333259,0.000002904385,0.0001906026,0.0002755216,0.0002153987],"category_scores_gemma":[0.000366647,0.0001186327,0.0001623266,0.0001305385,0.000244814,0.00006021027,0.0001438754,0.0001700513,0.00009431082],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001202172,"about_ca_system_score_gemma":0.00001881639,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00008284103,"about_ca_topic_score_gemma":0.000001921103,"domain_scores_codex":[0.9986334,0.0001744289,0.0006301507,0.0002430846,0.00005931786,0.0002596046],"domain_scores_gemma":[0.9983454,0.0003572282,0.0007013595,0.0004845125,0.00006038767,0.00005108225],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00004060317,0.0001400495,0.1787139,0.00006714519,0.00004875179,3.641571e-7,0.0001500509,0.000002580884,0.8194147,0.00002314506,0.0008433752,0.0005553192],"study_design_scores_gemma":[0.0002002344,0.00005007757,0.03490055,0.00004444618,0.00005352959,0.00004824332,0.0001335748,0.00002736825,0.9612237,0.0000528447,0.003165468,0.00009998622],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.997264,0.0006243128,0.00001561992,0.000229856,0.0007977638,0.000144268,0.00006159973,0.00002552761,0.0008370997],"genre_scores_gemma":[0.9992882,0.000084561,0.00005032142,0.00003066102,0.0002344552,0.00003452584,0.00008243172,0.00001486532,0.0001799529],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1438134,"threshold_uncertainty_score":0.4837701,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05479935659649453,"score_gpt":0.352038357084564,"score_spread":0.2972390004880695,"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."}}