{"id":"W2592035727","doi":"10.1016/j.chembiol.2017.02.001","title":"Rapid Discovery of Potent and Selective Glycosidase-Inhibiting De Novo Peptides","year":2017,"lang":"en","type":"article","venue":"Cell chemical biology","topic":"Enzyme Production and Characterization","field":"Biochemistry, Genetics and Molecular Biology","cited_by":58,"is_retracted":false,"has_abstract":false,"ca_institutions":"Canada's Michael Smith Genome Sciences Centre; University of British Columbia","funders":"Basic Energy Sciences; National Institute of General Medical Sciences; Japan Society for the Promotion of Science; Networks of Centres of Excellence of Canada; Office of Science; National Institutes of Health; Biological and Environmental Research; Japan Agency for Medical Research and Development; U.S. Department of Energy","keywords":"Thioether; Peptide; Chemistry; Structural motif; Biochemistry; Drug discovery; Glycoside hydrolase; Enzyme; Amino acid; Cyclic peptide; Stereochemistry","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":[0.00007634918,0.00008267757,0.0001061008,0.00001315522,0.0000711638,0.0000175818,0.00009806945,0.0001353758,0.0000031136],"category_scores_gemma":[0.0001542114,0.00007595158,0.00003767585,0.00001297444,0.0001910269,0.000005788588,0.0001182095,0.00006310522,0.000001135672],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000007563072,"about_ca_system_score_gemma":0.00002389896,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006823462,"about_ca_topic_score_gemma":0.000001067022,"domain_scores_codex":[0.9994534,0.00002482795,0.0001191552,0.0002405314,0.00002257987,0.0001394837],"domain_scores_gemma":[0.9995981,0.000008391111,0.0001260484,0.0001827751,0.00004755059,0.00003714165],"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":[0.00005553052,0.00003295341,0.005112923,0.00002049191,0.0000109327,4.347596e-7,0.00001930819,1.968471e-7,0.9922786,0.00009293218,0.00006052199,0.002315183],"study_design_scores_gemma":[0.0002922446,0.00009080269,0.001795134,0.00000670429,0.000008427472,0.00001540747,0.00002242226,0.00000631951,0.9966366,0.0001655722,0.0008728977,0.00008745902],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9972293,0.0002890878,0.0004491059,0.0001705023,0.00005225775,0.00005523161,0.00001389951,0.000005327464,0.001735238],"genre_scores_gemma":[0.9988987,0.0002275285,0.0003390279,0.00009957195,0.0001954425,0.000005505524,0.00008876724,0.000008098377,0.000137381],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004358017,"threshold_uncertainty_score":0.3097215,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009459377079031694,"score_gpt":0.2384311108924211,"score_spread":0.2289717338133894,"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."}}