{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003441585,0.0004094291,0.0004998822,0.0001997462,0.0001078018,0.00004818607,0.0001895056,0.0004916234,0.000005037308],"category_scores_gemma":[0.0005384876,0.000459106,0.000128485,0.0003729213,0.0002093635,0.00001250545,0.0003247425,0.0002514998,0.00000168428],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007659983,"about_ca_system_score_gemma":0.0005108765,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000480409,"about_ca_topic_score_gemma":0.00000148315,"domain_scores_codex":[0.9979116,0.0002264237,0.0005287288,0.0008422423,0.0002509319,0.0002400445],"domain_scores_gemma":[0.9980167,0.00005716905,0.0005604102,0.0004604721,0.0007810054,0.0001242703],"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":[0.0001137884,0.00004307518,0.002010253,0.000309598,0.0006109164,0.000001475551,0.00001610646,0.0003113176,0.9963031,0.00003585425,0.000239989,0.000004572031],"study_design_scores_gemma":[0.000322564,0.0001225161,0.05797495,0.000260941,0.0002013983,3.209422e-8,0.000004460888,0.0002648432,0.9397546,0.000004825326,0.0006462436,0.0004425944],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9721173,0.004207639,0.02162946,0.0003835103,0.0004648221,0.0009240081,0.0002065816,0.00006570457,9.845097e-7],"genre_scores_gemma":[0.9942693,0.002098608,0.002722037,0.00005388112,0.0005307317,0.0002351109,0.000005332724,0.00008221468,0.000002781821],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05654842,"threshold_uncertainty_score":0.9997861,"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."}}