{"id":"W2738161677","doi":"10.1002/cmdc.201700300","title":"Rational Design of a Highly Potent and Selective Peptide Inhibitor of PACE4 by Salt Bridge Interaction with D160 at Position P3","year":2017,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Peptidase Inhibition and Analysis","field":"Medicine","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke","funders":"Canadian Cancer Society Research Institute; Public Health Agency of Canada; Prostate Cancer Canada; Cancer Research Institute","keywords":"Proprotein Convertases; Furin; Proteases; Salt bridge; Serine; Serine protease; Chemistry; Residue (chemistry); Stereochemistry; Biochemistry; Protease; Enzyme; Mutant; LDL receptor; Gene","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":[0.0002766457,0.0004058267,0.0003958583,0.0001611101,0.0001455561,0.0002484472,0.000493556,0.0002633335,0.0007187746],"category_scores_gemma":[0.0001417736,0.0001980099,0.0002465665,0.0001254475,0.0001911375,0.000192784,0.0001921859,0.0004419481,0.0003600775],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002711189,"about_ca_system_score_gemma":0.0003489852,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003820984,"about_ca_topic_score_gemma":0.0005835735,"domain_scores_codex":[0.999927,0.00001533964,0.000006255642,0.00001253127,0.00002034984,0.00001845728],"domain_scores_gemma":[0.9999521,0.000008169261,0.00001323624,0.000003027113,0.000006818223,0.00001666345],"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":[0.0006493162,0.0004215993,0.0005269098,0.0001860568,0.0000580097,0.000434267,0.00005111494,0.00602199,0.9775953,0.001194206,0.0004450421,0.01241614],"study_design_scores_gemma":[0.0007382537,0.003157789,0.0009050636,0.00001997825,0.00007926305,0.0005431073,0.0000275022,0.01713534,0.9678802,0.0002611034,0.009219709,0.00003271741],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9726218,0.001911434,0.0214061,0.0002244302,0.00005374939,0.0004413728,0.0002942502,0.0001636976,0.002883147],"genre_scores_gemma":[0.9802324,0.001662132,0.0154989,0.0001093215,0.00001816922,0.0001446461,0.0003311468,0.0000272465,0.00197614],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007187746,"threshold_uncertainty_score":0.002404511,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02112608375755981,"score_gpt":0.2721897979505106,"score_spread":0.2510637141929508,"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."}}