{"id":"W4406970680","doi":"10.1021/acsomega.4c09593","title":"Improving the Activity and Selectivity of a Scorpion-Derived Peptide, A3a, against <i>Acinetobacter baumannii</i> through Rational Design","year":2025,"lang":"en","type":"article","venue":"ACS Omega","topic":"Antimicrobial Peptides and Activities","field":"Immunology and Microbiology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Discovery Centre","funders":"Biotechnology and Biological Sciences Research Council; Engineering and Physical Sciences Research Council; Medical Research Council; University of Pretoria; South African Medical Research Council; King's College London","keywords":"Acinetobacter baumannii; Scorpion; Rational design; Selectivity; Peptide; Chemistry; Microbiology; Combinatorial chemistry; Medicine; Biology; Biochemistry; Genetics; Venom; Pseudomonas aeruginosa; Bacteria; Catalysis","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":[0.000182488,0.0003057477,0.000184703,0.0001241635,0.0001779376,0.0003565582,0.0002537494,0.0002203112,0.0006364896],"category_scores_gemma":[0.0001524104,0.0001331727,0.0002841739,0.00009272905,0.0002042582,0.0001899018,0.0001578636,0.0004322763,0.000201575],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004782567,"about_ca_system_score_gemma":0.0003263863,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007385968,"about_ca_topic_score_gemma":0.0009524426,"domain_scores_codex":[0.9999429,0.000009248994,0.000005071067,0.00001196046,0.00001974054,0.00001093531],"domain_scores_gemma":[0.9999554,0.000007773735,0.00001455235,0.000003644769,0.000007046411,0.00001157115],"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":[0.0003373685,0.0001494888,0.0006578747,0.0001142918,0.00002545123,0.0001001543,0.00002582227,0.01354888,0.9756653,0.0008960582,0.000160579,0.008318706],"study_design_scores_gemma":[0.0002013771,0.001797044,0.00150135,0.00001768842,0.00006381992,0.0002976208,0.00003761378,0.04531016,0.9454571,0.0003670769,0.004920422,0.00002867717],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9903362,0.000858615,0.00604732,0.0001646355,0.00002229328,0.00007077632,0.0001487346,0.000100706,0.002250777],"genre_scores_gemma":[0.9870157,0.0007640304,0.01117944,0.0000586427,0.000005093633,0.00005273982,0.0001349059,0.00002177772,0.0007676844],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007385968,"threshold_uncertainty_score":0.003470004,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0140900000901756,"score_gpt":0.2270185710765115,"score_spread":0.2129285709863359,"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."}}