{"id":"W2586628822","doi":"10.1021/acscombsci.6b00174","title":"Discovery of Peptidomimetic Ligands of EED as Allosteric Inhibitors of PRC2","year":2017,"lang":"en","type":"article","venue":"ACS Combinatorial Science","topic":"Genetics and Neurodevelopmental Disorders","field":"Biochemistry, Genetics and Molecular Biology","cited_by":49,"is_retracted":false,"has_abstract":true,"ca_institutions":"Princess Margaret Cancer Centre; Structural Genomics Consortium; University of Toronto","funders":"National Institute of General Medical Sciences; European Federation of Pharmaceutical Industries and Associations; National Cancer Institute; University of North Carolina at Chapel Hill; National Institutes of Health; Ministero dello Sviluppo Economico; Genome Canada; Fundação de Amparo à Pesquisa do Estado de São Paulo; Novartis Pharma; Wellcome Trust; Ontario Ministry of Economic Development and Innovation; Pfizer","keywords":"Chemistry; Peptidomimetic; Allosteric regulation; Combinatorial chemistry; Stereochemistry; Biochemistry; Enzyme","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":[0.000254303,0.00009685427,0.0001680479,0.00004898457,0.0001127106,0.00002927903,0.000714554,0.00005677464,0.000001752697],"category_scores_gemma":[0.0003415736,0.00008933451,0.00005865916,0.000121421,0.0008974845,0.0000172671,0.0004931012,0.00003488809,9.318356e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000006084485,"about_ca_system_score_gemma":0.0002355327,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006082525,"about_ca_topic_score_gemma":0.000004501748,"domain_scores_codex":[0.9990023,0.0000113758,0.0002553672,0.0002523671,0.0003116583,0.0001669688],"domain_scores_gemma":[0.9989849,0.000008734368,0.0003267145,0.0004881039,0.000144934,0.00004656472],"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":[0.00005801243,0.00009370717,0.005177922,0.00001765076,0.00000839693,3.196377e-7,0.00005845894,0.00000352845,0.9932497,0.0009917121,0.00003854668,0.0003020584],"study_design_scores_gemma":[0.0006200953,0.0005148388,0.04933378,0.00002255732,0.000006517488,0.000001025011,0.00003975354,0.000003157015,0.9482694,0.0009777679,0.0001198932,0.00009122125],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9973108,0.0000595108,0.000005290981,0.00003695373,0.0009442015,0.0001183422,0.000005266554,0.000001480335,0.001518224],"genre_scores_gemma":[0.9997241,0.0001098408,0.00005371966,0.00001153445,0.0000202304,0.000001515939,0.000003023979,0.00000742264,0.00006853649],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04498029,"threshold_uncertainty_score":0.3642956,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008032322464462904,"score_gpt":0.2543221917222153,"score_spread":0.2462898692577524,"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."}}