{"id":"W2902197007","doi":"10.2147/dddt.s186614","title":"Synthesis of small peptide compounds, molecular docking, and inhibitory activity evaluation against phosphatases PTP1B and SHP2","year":2018,"lang":"en","type":"article","venue":"Drug Design Development and Therapy","topic":"Protein Tyrosine Phosphatases","field":"Biochemistry, Genetics and Molecular Biology","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Allard Foundation","keywords":"Allosteric regulation; Biochemistry; Phosphatase; Docking (animal); Peptide; Chemistry; Enzyme; Protein tyrosine phosphatase; Active site; Tripeptide; Binding site; IC50; In vitro","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":[0.0001505371,0.0006334526,0.0007891835,0.0003478618,0.0002440727,0.0004137699,0.0004535135,0.0003172655,0.003728035],"category_scores_gemma":[0.0003528952,0.0002354052,0.0005058807,0.0006113324,0.0001446071,0.0003240578,0.0002569716,0.0006393123,0.0007563002],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003060624,"about_ca_system_score_gemma":0.0004095032,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007600011,"about_ca_topic_score_gemma":0.001360675,"domain_scores_codex":[0.9999093,0.00001209467,0.000006413968,0.00002180341,0.0000321697,0.00001822464],"domain_scores_gemma":[0.9999259,0.00001875439,0.00001780361,0.000006589377,0.00001719385,0.00001393187],"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":[0.001306019,0.001386942,0.00145915,0.003885808,0.0002410228,0.001541751,0.0001148714,0.3049521,0.6065618,0.004409238,0.003530236,0.07061098],"study_design_scores_gemma":[0.001292519,0.007906126,0.001998084,0.0001389079,0.0003549318,0.0007443555,0.0001218604,0.2700413,0.6860576,0.001580046,0.02965077,0.0001133546],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9350138,0.01098454,0.03352156,0.0003866514,0.0001596984,0.0006575224,0.00435869,0.0005737187,0.0143439],"genre_scores_gemma":[0.9328007,0.008631401,0.0513158,0.00012486,0.00002771137,0.0006808308,0.003025755,0.0001028258,0.003290185],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003728035,"threshold_uncertainty_score":0.0124715,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02409958124732044,"score_gpt":0.2497696812994889,"score_spread":0.2256701000521684,"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."}}