{"id":"W1971368081","doi":"10.1103/physreve.77.031913","title":"Prediction of binding free energy for adsorption of antimicrobial peptide lactoferricin B on a POPC membrane","year":2008,"lang":"en","type":"article","venue":"Physical Review E","topic":"Lipid Membrane Structure and Behavior","field":"Biochemistry, Genetics and Molecular Biology","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph","funders":"","keywords":"POPC; Membrane; Antimicrobial peptides; Chemistry; Thermodynamic integration; Peptide; Molecular dynamics; Bilayer; Potential of mean force; Lipid bilayer; Chemical physics; Computational chemistry; Biochemistry","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":[0.0002178809,0.0005539965,0.0006200384,0.00057541,0.0006901822,0.0004184758,0.0005004437,0.001020785,0.001216238],"category_scores_gemma":[0.0009769566,0.0003501436,0.0004853885,0.000361595,0.0004121271,0.0003107758,0.0002575159,0.0005403511,0.000232893],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001303089,"about_ca_system_score_gemma":0.001017479,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01508277,"about_ca_topic_score_gemma":0.006654284,"domain_scores_codex":[0.9999081,0.00002022235,0.000003474429,0.00001494554,0.00003089439,0.00002240713],"domain_scores_gemma":[0.9997005,0.0001669126,0.00002218244,0.0000122926,0.00005369444,0.00004433804],"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":[0.0001215635,0.00005669967,0.003373722,0.00006495648,0.00003870876,0.0002118416,0.00004834509,0.970249,0.02187123,0.001109953,0.0002554608,0.002598514],"study_design_scores_gemma":[0.00001498897,0.00002521431,0.001076132,0.000003743878,0.000005130889,0.00001392409,0.00001460484,0.9960079,0.002453626,0.0002864938,0.00009108251,0.000007022719],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9780408,0.000181784,0.01912957,0.0001274657,0.0000119081,0.00003098391,0.0002102739,0.0001740692,0.002093121],"genre_scores_gemma":[0.9868755,0.000165228,0.01148628,0.00004030058,0.000004654652,0.000107477,0.0004460245,0.00008201154,0.0007923896],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01508277,"threshold_uncertainty_score":0.02998996,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02494196081539099,"score_gpt":0.2743570229161877,"score_spread":0.2494150621007967,"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."}}