{"id":"W4391530490","doi":"10.3390/membranes14020045","title":"Studying Conformational Properties of Transmembrane Domain of KCNE3 in a Lipid Bilayer Membrane Using Molecular Dynamics Simulations","year":2024,"lang":"en","type":"article","venue":"Membranes","topic":"Cardiac electrophysiology and arrhythmias","field":"Medicine","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute of General Medical Sciences; National Heart, Lung, and Blood Institute; McMaster Institute for Research on Aging, McMaster University; University of Miami; Kentucky Academy of Science; Ohio Board of Regents; National Institutes of Health; National Science Foundation","keywords":"POPC; Lipid bilayer; Transmembrane domain; Model lipid bilayer; Molecular dynamics; Chemistry; Crystallography; Transmembrane protein; Biophysics; Bilayer; Membrane; Lipid bilayer phase behavior; Biochemistry; Computational chemistry; Receptor","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001930807,0.000575371,0.0005575452,0.0003736624,0.0006928143,0.0004281939,0.0006078184,0.0007432806,0.0009133223],"category_scores_gemma":[0.0006861155,0.0003069832,0.0006047281,0.000360041,0.0004835226,0.0005675653,0.0003785645,0.0007163409,0.0001137451],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007726428,"about_ca_system_score_gemma":0.0008600385,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01198701,"about_ca_topic_score_gemma":0.006487206,"domain_scores_codex":[0.9999201,0.00001516338,0.000004641436,0.00001604451,0.00001903237,0.00002493183],"domain_scores_gemma":[0.9998012,0.00007798318,0.00002130586,0.00001419402,0.00004563379,0.00003958725],"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":[0.0003089501,0.0002245344,0.007445365,0.0001484181,0.0001727888,0.0003790343,0.0002472975,0.9505664,0.03249525,0.004294135,0.000461607,0.003256213],"study_design_scores_gemma":[0.00002976436,0.0000413886,0.001004665,0.000009363477,0.00001749578,0.00001383973,0.00003925986,0.9959091,0.002243554,0.0003848391,0.0002977179,0.000008991947],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9900457,0.0002152586,0.006599057,0.0001635216,0.00002114759,0.00003731623,0.0003582103,0.00008190462,0.002477825],"genre_scores_gemma":[0.9906698,0.0003193036,0.007664159,0.00005241959,0.00000797872,0.0001295302,0.0006585072,0.00004426296,0.0004540184],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01198701,"threshold_uncertainty_score":0.02383447,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02108105948655258,"score_gpt":0.268433811171251,"score_spread":0.2473527516846984,"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."}}