{"id":"W2215623008","doi":"10.1016/j.jmgm.2015.12.002","title":"A MARTINI extension for Pseudomonas aeruginosa PAO1 lipopolysaccharide","year":2015,"lang":"en","type":"article","venue":"Journal of Molecular Graphics and Modelling","topic":"Lipid Membrane Structure and Behavior","field":"Biochemistry, Genetics and Molecular Biology","cited_by":44,"is_retracted":false,"has_abstract":false,"ca_institutions":"Brock University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Lipopolysaccharide; Pseudomonas aeruginosa; Phosphatidylethanolamine; Bilayer; Force field (fiction); Chemistry; Lipid bilayer; Bacterial outer membrane; Molecular dynamics; Membrane; Microbiology; Phospholipid; Bacteria; Physics; Escherichia coli; Computational chemistry; Biology; Biochemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005007931,0.0001559362,0.0002216761,0.0001052489,0.00005993777,0.0000363789,0.0001240929,0.0001490936,7.06569e-7],"category_scores_gemma":[0.00005892345,0.000128774,0.0002085632,0.00005368581,0.00005051076,0.000009456527,0.00004548041,0.000142645,1.409023e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000005185667,"about_ca_system_score_gemma":0.0001030794,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007656118,"about_ca_topic_score_gemma":0.000002181816,"domain_scores_codex":[0.9989926,0.00003372135,0.000348724,0.0002060762,0.0002156801,0.0002032513],"domain_scores_gemma":[0.9989117,0.0000109713,0.0002274953,0.0001803915,0.0004478417,0.0002216213],"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":[0.000276315,0.00004104996,0.0001668318,0.00002227124,0.00006065478,0.00002593071,0.00006311414,0.004020338,0.9927183,0.001109678,0.0002361907,0.001259287],"study_design_scores_gemma":[0.002057422,0.0009385076,0.00002007389,0.00005995261,0.0002296494,0.0004775198,0.0001234873,0.005758726,0.9746231,0.00331605,0.01208634,0.0003091663],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7924624,0.001387004,0.2055748,0.0001720739,0.000258023,0.000112737,0.000004937896,0.000003133613,0.00002486369],"genre_scores_gemma":[0.9880291,0.0005266463,0.01065367,0.0003780912,0.0003426163,0.000004022638,0.00001023318,0.00002566972,0.00002989822],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1955667,"threshold_uncertainty_score":0.525125,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03155622446253578,"score_gpt":0.2699226697528996,"score_spread":0.2383664452903639,"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."}}