{"id":"W2932571709","doi":"10.1038/s41598-019-41930-7","title":"Identification of Allosteric Inhibitors against Active Caspase-6","year":2019,"lang":"en","type":"article","venue":"Scientific Reports","topic":"ATP Synthase and ATPases Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":28,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal; Institute for Research in Immunology and Cancer; McGill University; Jewish General Hospital","funders":"National Institute of Diabetes and Digestive and Kidney Diseases; National Institute of General Medical Sciences; Compute Canada; National Science Foundation; Canadian Institutes of Health Research; Journal of Gastroenterology and Hepatology Foundation; Université de Montréal; National Institutes of Health; Ministère de l'Économie, de la Science et de l'Innovation - Québec; Government of Canada; Division of Materials Research; Cystic Fibrosis Canada","keywords":"Allosteric regulation; Identification (biology); Computational biology; Chemistry; Biochemistry; Biology; Enzyme; Ecology","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":[0.0003751754,0.0004295972,0.000579946,0.0003706932,0.0001634717,0.0003940159,0.0005199299,0.0003815159,0.001922611],"category_scores_gemma":[0.0003398526,0.0001836311,0.0003853756,0.0002856527,0.0002345859,0.0002156363,0.0003283914,0.0008515218,0.000481582],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002764034,"about_ca_system_score_gemma":0.000215514,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001792169,"about_ca_topic_score_gemma":0.00037094,"domain_scores_codex":[0.9998293,0.00003364624,0.0000178306,0.00003704321,0.00005303989,0.00002908459],"domain_scores_gemma":[0.9998554,0.00003248854,0.00003780779,0.000015911,0.00002964656,0.0000286636],"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":[0.0005175482,0.0004344339,0.001281894,0.0003550235,0.00008964541,0.0002755333,0.00004023363,0.002791983,0.9611169,0.0009700799,0.0005057885,0.03162105],"study_design_scores_gemma":[0.0009286194,0.005445197,0.004057911,0.00009622527,0.0002739413,0.002748466,0.0000536498,0.009531655,0.9600265,0.0007753432,0.01601946,0.00004293651],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9675889,0.01370382,0.01365069,0.0002748568,0.0001241111,0.0002519406,0.0006123376,0.0002721639,0.003521136],"genre_scores_gemma":[0.9848369,0.003489547,0.008952885,0.0002073478,0.00003179842,0.0000690327,0.0008382535,0.00002419454,0.001550081],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001922611,"threshold_uncertainty_score":0.006431758,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009327510444056393,"score_gpt":0.2738072472274996,"score_spread":0.2644797367834432,"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."}}