{"id":"W2949739577","doi":"10.1002/cmdc.201800030","title":"Identifying Small‐Molecule Binding Sites for Epigenetic Proteins at Domain–Domain Interfaces","year":2018,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"H2020 European Research Council; Eshelman Institute for Innovation, University of North Carolina at Chapel Hill; Ontario Ministry of Economic Development and Innovation; Wellcome Trust; European Federation of Pharmaceutical Industries and Associations; AbbVie; Takeda Pharmaceutical Company; Diamond Light Source; Boehringer Ingelheim; Janssen Pharmaceuticals; Merck KGaA; Merck; Bayer; Fundação de Amparo à Pesquisa do Estado de São Paulo; Genome Canada; Novartis Pharma; Canada Foundation for Innovation; Novartis; Pfizer","keywords":"Bromodomain; Epigenetics; Computational biology; Domain (mathematical analysis); Small molecule; Histone; PHD finger; Drug discovery; Binding site; Biology; Chemistry; Biophysics; Genetics; Bioinformatics; Gene; Zinc finger; Transcription factor","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":[],"consensus_categories":[],"category_scores_codex":[0.0002621558,0.000239431,0.000177941,0.00006542877,0.0002786762,0.00006554107,0.0003100731,0.0002020134,0.0001012553],"category_scores_gemma":[0.0001503142,0.0002359652,0.0001334246,0.000127627,0.0002198827,0.000007411529,0.0002766152,0.00007447405,0.0001034623],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006202066,"about_ca_system_score_gemma":0.00005041999,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003814714,"about_ca_topic_score_gemma":0.00006203035,"domain_scores_codex":[0.9985709,0.00003481992,0.0002910223,0.0005387093,0.0001360554,0.0004284663],"domain_scores_gemma":[0.9991692,0.00001469916,0.0001479651,0.0004078081,0.0001290519,0.0001313226],"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":[0.00007884626,0.00003854267,0.0003195962,0.00005492269,0.00004361933,0.000001043662,0.0001864483,1.504739e-7,0.9945017,0.00007786736,0.004153576,0.000543724],"study_design_scores_gemma":[0.0006991283,0.0002740803,0.00005787125,0.00004005741,0.0000118274,0.000009730152,0.0002036314,0.00001011476,0.9645551,0.0004501653,0.0333914,0.0002968742],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9816486,0.0004580843,0.01462942,0.0002912735,0.0002311227,0.0007467025,0.00002257184,0.00004241728,0.001929757],"genre_scores_gemma":[0.9767294,0.0000228053,0.0175458,0.0002547436,0.000790798,0.0002850848,0.0002829489,0.00005724923,0.004031156],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02994654,"threshold_uncertainty_score":0.9622381,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03174157573862648,"score_gpt":0.2788403151903379,"score_spread":0.2470987394517114,"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."}}