{"id":"W3068892982","doi":"10.1016/j.ejmech.2020.112721","title":"Selective targeting of the αC and DFG-out pocket in p38 MAPK","year":2020,"lang":"en","type":"article","venue":"European Journal of Medicinal Chemistry","topic":"Melanoma and MAPK Pathways","field":"Biochemistry, Genetics and Molecular Biology","cited_by":27,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Eshelman Institute for Innovation, University of North Carolina at Chapel Hill; Pfizer Canada; Merck Sharp and Dohme; AbbVie Deutschland; Innovative Medicines Initiative; Novartis Pharma; Canada Foundation for Innovation; Ontario Ministry of Economic Development and Innovation; Fundação de Amparo à Pesquisa do Estado de São Paulo; Genome Canada; Merck KGaA; Boehringer Ingelheim; Wellcome Trust; Bayer","keywords":"Chemistry; Allosteric regulation; MAPK/ERK pathway; p38 mitogen-activated protein kinases; Binding pocket; Drug discovery; Combinatorial chemistry; Binding site; Computational biology; Signal transduction; Biochemistry; Receptor; Biology","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":[0.0002277295,0.0003928111,0.0002124668,0.0001111078,0.0001773486,0.0001635154,0.0004031722,0.0003022801,0.001994525],"category_scores_gemma":[0.0001336497,0.0001370935,0.000181287,0.0001295306,0.0001900237,0.0002382119,0.0003057646,0.0005267491,0.0004663684],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00039995,"about_ca_system_score_gemma":0.0002637571,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008021283,"about_ca_topic_score_gemma":0.0007848633,"domain_scores_codex":[0.9998913,0.00001636582,0.000006108165,0.0000205664,0.00002096407,0.000044744],"domain_scores_gemma":[0.9999613,0.000007495689,0.000009105586,0.000005911763,0.000004391227,0.0000118873],"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":[0.0004818325,0.00004512194,0.0001038209,0.00008606686,0.00000790716,0.0001880831,0.00003162445,0.0004055307,0.9913892,0.001187404,0.0003148492,0.005758523],"study_design_scores_gemma":[0.0001047891,0.0002752289,0.0005648556,0.00001237741,0.00001490685,0.0004004895,0.00002398473,0.001137562,0.9892088,0.0002191597,0.008024442,0.00001337922],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9795697,0.002052089,0.01128431,0.0004119401,0.00010493,0.0001095902,0.0004439718,0.0001614309,0.005861904],"genre_scores_gemma":[0.9904055,0.001194735,0.004571374,0.0001441215,0.00001299379,0.00004659828,0.0002327671,0.00001981479,0.003372203],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001994525,"threshold_uncertainty_score":0.006672323,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01038204048651175,"score_gpt":0.2036884798109804,"score_spread":0.1933064393244686,"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."}}