{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000383989,0.0004388322,0.0006647162,0.0003228505,0.0002620526,0.0004570398,0.0006602231,0.0004690308,0.003152446],"category_scores_gemma":[0.0005192039,0.0002966611,0.0005249958,0.0002410093,0.0002262343,0.0004295556,0.0003086893,0.0008612227,0.0008952935],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005804252,"about_ca_system_score_gemma":0.0004383351,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006471053,"about_ca_topic_score_gemma":0.001343726,"domain_scores_codex":[0.9998162,0.00003185903,0.00001089365,0.00003203791,0.00008062622,0.00002847194],"domain_scores_gemma":[0.9997807,0.0001195335,0.00003895279,0.00001390853,0.00002342937,0.0000233887],"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":[0.0009430779,0.0003157991,0.002576748,0.0005200976,0.00007331531,0.000467867,0.00008267436,0.01451079,0.9468274,0.003094623,0.001031993,0.0295556],"study_design_scores_gemma":[0.0002406744,0.0004263341,0.002277137,0.00004046619,0.00007964601,0.0003650996,0.0000661541,0.04767521,0.939915,0.0009433263,0.007940252,0.00003064554],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9066707,0.006072472,0.07759994,0.0004094609,0.00006429545,0.0003556259,0.001009693,0.0009297676,0.006888018],"genre_scores_gemma":[0.9543905,0.001955446,0.04029066,0.0001399174,0.000005996561,0.0001428584,0.001200439,0.00003599343,0.001838065],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003152446,"threshold_uncertainty_score":0.01054603,"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."}}