{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003920967,0.0006216647,0.000396118,0.0002496068,0.0001520513,0.0005905362,0.0003912402,0.000350126,0.0007344084],"category_scores_gemma":[0.0003439626,0.0002810554,0.0002061738,0.0002176614,0.0001925555,0.0003999294,0.0004046193,0.0009048139,0.0004937229],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000359832,"about_ca_system_score_gemma":0.0003409934,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002220013,"about_ca_topic_score_gemma":0.000536764,"domain_scores_codex":[0.9998378,0.00002102544,0.00001403656,0.00003141505,0.00005389862,0.00004186236],"domain_scores_gemma":[0.9998128,0.00004696523,0.0000346395,0.00002099005,0.00003499405,0.000049531],"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":[0.00007993067,0.00003174239,0.00007324799,0.00004113807,0.000005513139,0.00006842286,0.00001386964,0.0002261147,0.9927936,0.0003982481,0.0001068337,0.006161356],"study_design_scores_gemma":[0.00001875256,0.0001313513,0.0001963458,0.000002836142,0.000009180262,0.0001221676,0.000006089342,0.0004529436,0.9960556,0.00008216497,0.002918957,0.000003590626],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8956993,0.008075157,0.08613425,0.0003843218,0.0001726377,0.0004314662,0.001441834,0.0003905832,0.007270422],"genre_scores_gemma":[0.9377708,0.007405126,0.04647958,0.0001912848,0.00005423705,0.0001674025,0.001873897,0.0001045492,0.005953146],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007344084,"threshold_uncertainty_score":0.002610803,"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."}}