{"id":"W2323354099","doi":"10.1021/la502905m","title":"Surface-Lattice Model Describes Electrostatic Interactions of Ions and Polycations with Bacterial Lipopolysaccharides: Ion Valence and Polycation’s Excluded Area","year":2014,"lang":"en","type":"article","venue":"Langmuir","topic":"Antimicrobial Peptides and Activities","field":"Immunology and Microbiology","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; University of Waterloo","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Biophysics; Static electricity; Membrane; Binding site; Ion; Bacterial outer membrane; Permeability (electromagnetism); Lipopolysaccharide; Competitive binding; Cationic polymerization; Plasma protein binding; Cytoplasm; Chemical physics; Crystallography; Biochemistry; Polymer chemistry; Organic chemistry; Escherichia coli; Receptor; Biology; Physics","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":[0.0002600352,0.001098045,0.001451862,0.0006035385,0.0008394647,0.001509572,0.002625606,0.003071723,0.004649343],"category_scores_gemma":[0.0008487376,0.0004371873,0.001334672,0.0009264589,0.001273605,0.002016046,0.0007984514,0.001277247,0.001349427],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009351189,"about_ca_system_score_gemma":0.001107222,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006235619,"about_ca_topic_score_gemma":0.003124229,"domain_scores_codex":[0.9997438,0.00006793826,0.00001324175,0.0000440195,0.00007661295,0.00005436144],"domain_scores_gemma":[0.999647,0.0001162447,0.00004765881,0.00003970363,0.00007865648,0.00007068468],"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":[0.00008010098,0.0001449016,0.001074877,0.0001392337,0.00005167492,0.0004197179,0.00007803239,0.8039142,0.01100916,0.1779482,0.001397943,0.003741865],"study_design_scores_gemma":[0.00003093926,0.00002531024,0.0001344835,0.000007099072,0.000007599693,0.00007180066,0.00002085662,0.9683099,0.000537385,0.02898875,0.001848894,0.00001705989],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2632418,0.002964421,0.6474991,0.00372779,0.001016414,0.0002443766,0.001722159,0.0005547114,0.07902921],"genre_scores_gemma":[0.8738313,0.002524215,0.07657249,0.000876945,0.0003668886,0.000782627,0.001023269,0.0003146515,0.04370752],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.006235619,"threshold_uncertainty_score":0.01555359,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01615541202215969,"score_gpt":0.2291132166095095,"score_spread":0.2129578045873498,"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."}}