{"id":"W4224265330","doi":"10.26434/chemrxiv-2022-9p94z","title":"An Activity-Based Oxaziridine Platform for Identifying and Developing Covalent Ligands for Functional Allosteric Methionine Sites: Redox-Dependent Inhibition of Cyclin-Dependent Kinase 4","year":2022,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds De La Recherche Scientifique - FNRS; Canadian Institute for Advanced Research; Novartis Institutes for BioMedical Research; Damon Runyon Cancer Research Foundation; American Cancer Society; National Institutes of Health; National Science Foundation","keywords":"Allosteric regulation; Chemistry; Biochemistry; Methionine; Active site; Amino acid; Enzyme","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0006193963,0.0004982707,0.0006295501,0.0001298233,0.0004453374,0.0001134929,0.0003177867,0.0004598483,0.0003410403],"category_scores_gemma":[0.0001685876,0.0005857306,0.0003315633,0.0001357594,0.00009812414,0.0001549298,0.0004848835,0.0006411252,9.937409e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000445308,"about_ca_system_score_gemma":0.0003660794,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001536698,"about_ca_topic_score_gemma":0.0000121571,"domain_scores_codex":[0.9972599,0.000009720357,0.0007703183,0.001117318,0.0004658713,0.0003768286],"domain_scores_gemma":[0.9974552,0.0004708181,0.0008369572,0.0007697203,0.0002971923,0.0001700691],"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":[0.0005412339,0.0004388728,0.0002199608,0.005450929,0.0001625177,0.000003181886,0.000135565,0.00103034,0.9909207,0.0001584575,0.0001611686,0.0007770905],"study_design_scores_gemma":[0.002140495,0.00005605734,0.0001314943,0.0003826363,0.0002778054,0.00001003516,0.0002827733,0.003245359,0.9902337,0.001856439,0.0007934483,0.0005897495],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9611045,0.0002042352,0.03621899,0.0004936149,0.0001660429,0.0007882703,0.0007606858,0.0001379335,0.0001257228],"genre_scores_gemma":[0.9845678,0.00008246555,0.004280102,0.00008879266,0.0004212389,0.002971583,0.007044304,0.00009047085,0.0004532681],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03193889,"threshold_uncertainty_score":0.9996594,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0973936024006996,"score_gpt":0.340095525263697,"score_spread":0.2427019228629974,"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."}}