{"id":"W4388450530","doi":"10.1101/2023.11.06.565890","title":"Structure-based design of small molecule inhibitors of the cagT4SS ATPase Cagα of Helicobacter pylori","year":2023,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"Helicobacter pylori-related gastroenterology studies","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Institute for Research in Immunology and Cancer; Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada; Université de Montréal; Cancer Research Society","keywords":"Secretion; Helicobacter pylori; Small molecule; Effector; Enzyme; Binding site; Biochemistry; Biology; Mutagenesis; ATPase; Pathogenicity island; Chemistry; Molecular biology; Virulence; Mutation; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002260493,0.0005429666,0.0005666969,0.0003052139,0.0001360336,0.0003881454,0.000548068,0.0002888289,0.0009410837],"category_scores_gemma":[0.0001321507,0.0003242525,0.0003076099,0.0001602847,0.0001531997,0.0001555119,0.0001909832,0.0004285102,0.0003021455],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000546744,"about_ca_system_score_gemma":0.0002597284,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007165109,"about_ca_topic_score_gemma":0.001702034,"domain_scores_codex":[0.9998947,0.00001821107,0.000008302403,0.00001845172,0.00003650909,0.00002376403],"domain_scores_gemma":[0.9999319,0.000008880876,0.00001927892,0.000003973929,0.00001488832,0.00002102882],"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":[0.0004477502,0.0003251717,0.0003900126,0.0001212522,0.00006007517,0.0001193587,0.00002990187,0.005730549,0.9852042,0.0003115273,0.0002319487,0.007028236],"study_design_scores_gemma":[0.001061014,0.006003553,0.002444576,0.00002743663,0.000148989,0.0003667253,0.00003123909,0.01813648,0.9607152,0.0001186096,0.01090736,0.0000388084],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9851143,0.003268618,0.007717287,0.0001698826,0.0000549826,0.0005361643,0.0006449609,0.0001691632,0.002324607],"genre_scores_gemma":[0.9832117,0.002129337,0.01001721,0.0001404576,0.00001613083,0.0002503579,0.001245001,0.00003263749,0.00295721],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009410837,"threshold_uncertainty_score":0.003966868,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02524342062486782,"score_gpt":0.2281617946994939,"score_spread":0.2029183740746261,"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."}}