{"id":"W4413105727","doi":"10.1021/acs.jmedchem.5c00677","title":"Engineering Peptide Modulators for T-Cell Migration by Structural Scaffold Matching","year":2025,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Institute of Infection and Immunity","funders":"Austrian Science Fund","keywords":"Peptide; Scaffold; Chemistry; In vitro; Computational biology; T cell; Cell migration; Mixed lymphocyte reaction; Structure–activity relationship; Immune system; Cell biology; Biochemistry; Immunology; Biology; Computer science","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":[0.0002205836,0.0003408921,0.0001906455,0.0001420889,0.00009372301,0.0002694694,0.0002894433,0.0003221769,0.001100642],"category_scores_gemma":[0.0002368538,0.0001380592,0.0002086353,0.0001277546,0.000172015,0.000214676,0.000238524,0.0004572525,0.0003387648],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001751687,"about_ca_system_score_gemma":0.0001402347,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001312929,"about_ca_topic_score_gemma":0.0002454797,"domain_scores_codex":[0.9998697,0.00002568573,0.00001166395,0.00002759203,0.00003359768,0.00003165249],"domain_scores_gemma":[0.9998821,0.0000303919,0.00004201131,0.00001183599,0.00001475776,0.00001897116],"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":[0.00004961978,0.00003095113,0.00006185495,0.00002313247,0.000003360269,0.0000430533,0.00001059589,0.0005602048,0.9971406,0.0001925686,0.000034332,0.001849859],"study_design_scores_gemma":[0.00002880286,0.0005399401,0.0003064206,0.000003221305,0.000009134917,0.000113459,0.00001160511,0.003521987,0.993417,0.00007653511,0.00196568,0.000006222382],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9673195,0.0006209087,0.02934854,0.0001195227,0.00003684789,0.0001745156,0.0001308672,0.000210447,0.002038817],"genre_scores_gemma":[0.9788653,0.0004629804,0.01903388,0.00009003755,0.00001063937,0.0001020638,0.0001388324,0.00002395945,0.001272358],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001100642,"threshold_uncertainty_score":0.003681958,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002281917074299522,"score_gpt":0.2168184409637413,"score_spread":0.2145365238894417,"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."}}