{"id":"W2791159100","doi":"10.1016/j.bpj.2017.11.1850","title":"Molecular Dynamics Simulations Reveal Specific Interactions of the Band 3 Anion Exchanger with Lipids and Glycophorin A","year":2018,"lang":"en","type":"article","venue":"Biophysical Journal","topic":"Erythrocyte Function and Pathophysiology","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Band 3; Glycophorin; Phosphatidylethanolamine; Chemistry; Lipid bilayer; Sphingomyelin; Biophysics; Phosphatidylserine; Molecular dynamics; Phosphatidylcholine; Crystallography; Biochemistry; Membrane protein; Membrane; Phospholipid; Biology; Computational chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00003783058,0.00008643825,0.000158612,0.00005281414,0.0001377993,0.0000134409,0.00004361204,0.00004109673,0.0001029927],"category_scores_gemma":[0.00001726388,0.00005038461,0.00006897543,0.000196873,0.0002406777,0.00005081464,0.00002296028,0.0002456756,0.000007588559],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000540208,"about_ca_system_score_gemma":0.00005273974,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004313591,"about_ca_topic_score_gemma":0.000007926308,"domain_scores_codex":[0.9994264,0.0000527536,0.0001514627,0.0001146994,0.000143868,0.0001107873],"domain_scores_gemma":[0.9994531,0.00003923165,0.00009906523,0.0001539745,0.0001632463,0.0000913559],"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":[0.000508137,0.0001500478,0.001436023,0.00001396211,0.00004895454,0.000009906112,0.0002132575,0.00001591098,0.9952673,0.0004482578,0.0004560705,0.001432217],"study_design_scores_gemma":[0.01016452,0.01153436,0.4459778,0.001226895,0.0007336527,0.005529769,0.001163184,0.0211079,0.4647351,0.001532389,0.03548145,0.0008129574],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9959497,0.00001815217,0.001965912,0.000903874,0.0004520099,0.00009967983,0.000009403175,0.000008110227,0.0005930872],"genre_scores_gemma":[0.9979973,0.0000189585,0.0004075778,0.0002026708,0.001066723,0.000001217722,0.000004377274,0.00001082865,0.000290285],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.5305322,"threshold_uncertainty_score":0.2054625,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01626900295507576,"score_gpt":0.2668232738485492,"score_spread":0.2505542708934734,"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."}}