{"id":"W2901667621","doi":"10.1016/j.jmb.2018.11.018","title":"Allosteric Modulation of Binding Specificity by Alternative Packing of Protein Cores","year":2018,"lang":"en","type":"article","venue":"Journal of Molecular Biology","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":25,"is_retracted":false,"has_abstract":false,"ca_institutions":"Structural Genomics Consortium; Lunenfeld-Tanenbaum Research Institute; Mount Sinai Hospital; University of Toronto","funders":"Canadian Institutes of Health Research; Canada Foundation for Innovation; EMBO; European Molecular Biology Organization","keywords":"Allosteric regulation; Biophysics; Chemistry; Ligand (biochemistry); Plasma protein binding; Molecular dynamics; Core (optical fiber); Phage display; Protein design; Crystallography; Protein structure; Biochemistry; Biology; Peptide; Enzyme; Materials science; Receptor; Computational chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003520065,0.0002563166,0.0003747842,0.000178116,0.0003642024,0.0008940605,0.0006130002,0.0004044801,0.002928365],"category_scores_gemma":[0.001160077,0.0004412904,0.0001936215,0.0001448414,0.000730752,0.0007218971,0.0006673727,0.0008141117,0.0004765129],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003155082,"about_ca_system_score_gemma":0.0002686646,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002245345,"about_ca_topic_score_gemma":0.0005649819,"domain_scores_codex":[0.9997889,0.00003866767,0.0000127774,0.00003831103,0.00005000224,0.00007134239],"domain_scores_gemma":[0.9993819,0.0002135296,0.00007701779,0.00009576248,0.00005507831,0.0001767672],"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":[0.0008995056,0.0002159321,0.001410456,0.00009257076,0.00002498737,0.0002409174,0.0001182147,0.002387617,0.9789291,0.007719585,0.0004163026,0.007544843],"study_design_scores_gemma":[0.0003426171,0.0006251635,0.01111388,0.00003753865,0.00005667892,0.0007512831,0.0003190166,0.1065613,0.8675421,0.00986534,0.002695796,0.00008918572],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9956207,0.0001221965,0.002129568,0.0001081332,0.00003762698,0.00001001056,0.00001176471,0.00006835963,0.001891597],"genre_scores_gemma":[0.9991689,0.00003898275,0.0005042739,0.00004251974,0.00000683529,0.000004167393,0.00001426824,0.0000140583,0.0002061533],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002928365,"threshold_uncertainty_score":0.009796381,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008903448889661294,"score_gpt":0.2727663446498945,"score_spread":0.2638628957602333,"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."}}