{"id":"W1995960546","doi":"10.1042/bj20021255","title":"Interactions of the designed antimicrobial peptide MB21 and truncated dermaseptin S3 with lipid bilayers: molecular-dynamics simulations","year":2003,"lang":"en","type":"article","venue":"Biochemical Journal","topic":"Antimicrobial Peptides and Activities","field":"Immunology and Microbiology","cited_by":101,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Alberta Heritage Foundation for Medical Research; Fondation pour la Recherche Médicale","keywords":"Bilayer; Lipid bilayer; Peptide; Antimicrobial peptides; Chemistry; Molecular dynamics; Biophysics; Lipid bilayer phase behavior; Model lipid bilayer; Lipid bilayer mechanics; Crystallography; Membrane; Biochemistry; Computational chemistry; Biology","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":[0.0002380807,0.00058719,0.000754396,0.000380673,0.00078607,0.0006471676,0.0008218493,0.001035583,0.002791177],"category_scores_gemma":[0.0008613524,0.0003934223,0.0004441902,0.0004148592,0.0007189699,0.0005973556,0.0004160433,0.0009335984,0.0002247654],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001806338,"about_ca_system_score_gemma":0.001687596,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01765721,"about_ca_topic_score_gemma":0.009491068,"domain_scores_codex":[0.9998876,0.00001927388,0.000004837992,0.00001760275,0.00002537377,0.00004527904],"domain_scores_gemma":[0.9996977,0.0001244688,0.00003137742,0.0000131645,0.00005593523,0.00007753316],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00055118,0.0003174831,0.004935456,0.0001213698,0.0001490108,0.0004977202,0.0002582511,0.9593633,0.02757174,0.002991019,0.0004490133,0.002794634],"study_design_scores_gemma":[0.0001874751,0.0003304404,0.002306247,0.00002667774,0.00004600488,0.00004884666,0.0001718178,0.9877787,0.007570471,0.000697971,0.0008012246,0.00003411816],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9954702,0.0001148006,0.001454539,0.00009701544,0.0000129616,0.0000330819,0.0002438349,0.00003265008,0.002540903],"genre_scores_gemma":[0.9952911,0.0001551898,0.00302407,0.00006270131,0.00000541947,0.00009331355,0.0004637633,0.0000331741,0.0008711784],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01765721,"threshold_uncertainty_score":0.03510886,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008109173835733029,"score_gpt":0.219403930830384,"score_spread":0.211294756994651,"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."}}