{"id":"W3016666903","doi":"10.1101/2020.04.13.040139","title":"Selective Peptidomimetic Inhibitors of NTMT1/2: Rational design, synthesis, characterization, and crystallographic studies","year":2020,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"Cancer-related gene regulation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"","keywords":"Peptidomimetic; Methyltransferase; Peptide; Chemistry; Rational design; Methylation; Stereochemistry; Selectivity; Non-competitive inhibition; Enzyme; Combinatorial chemistry; Biochemistry; DNA; Biology; Genetics","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0003961735,0.000552432,0.0004576312,0.0001746294,0.0001523186,0.0003055889,0.0004620295,0.0002479203,0.0008850815],"category_scores_gemma":[0.0001952306,0.0001851371,0.0001989328,0.0002368057,0.0001764383,0.0001617736,0.0001566539,0.0005642946,0.0004662959],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006024451,"about_ca_system_score_gemma":0.0003720885,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001031273,"about_ca_topic_score_gemma":0.001647159,"domain_scores_codex":[0.9998593,0.00002937678,0.00001029166,0.00002029141,0.00005723721,0.00002349783],"domain_scores_gemma":[0.9999528,0.000008616132,0.00001289016,0.000003415035,0.000009305825,0.00001305624],"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":[0.0003608897,0.0002554478,0.0002650677,0.0002701694,0.00003559004,0.0002143307,0.00005713411,0.006109132,0.9785917,0.001285776,0.0008064696,0.01174832],"study_design_scores_gemma":[0.0002657911,0.000738529,0.0005466486,0.00001536431,0.00003469947,0.0003822115,0.00001885653,0.009133694,0.9765925,0.0001704265,0.0120847,0.00001658861],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9388987,0.01499788,0.03397177,0.0005516587,0.00008310639,0.0005788472,0.001999425,0.000374495,0.008544204],"genre_scores_gemma":[0.9370224,0.01314438,0.03919353,0.0001892406,0.0000316007,0.0002951522,0.002768585,0.00007365989,0.007281409],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001031273,"threshold_uncertainty_score":0.004371047,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01469040770307403,"score_gpt":0.2232872931478553,"score_spread":0.2085968854447812,"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."}}