{"id":"W2127386741","doi":"10.1111/j.1440-1681.2006.04461.x","title":"COMPUTER SIMULATIONS OF TRANSPORT THROUGH MEMBRANES: PASSIVE DIFFUSION, PORES, CHANNELS AND TRANSPORTERS","year":2006,"lang":"en","type":"review","venue":"Clinical and Experimental Pharmacology and Physiology","topic":"Lipid Membrane Structure and Behavior","field":"Biochemistry, Genetics and Molecular Biology","cited_by":57,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Membrane; Biophysics; Gating; Molecular dynamics; Chemistry; ATP-binding cassette transporter; Transporter; Transport protein; Passive transport; Lipid bilayer; Ion transporter; Membrane transport; Ion channel; Membrane transport protein; Potassium channel; Membrane potential; Membrane protein; Biochemistry; Computational chemistry; Biology","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00006549447,0.0003981172,0.001342983,0.00003776594,0.0001085695,0.000004147616,0.0001182284,0.000695643,0.00005015139],"category_scores_gemma":[0.000002137233,0.000301482,0.000270815,0.00004804562,0.001153352,0.000008215815,0.00008881785,0.000269834,5.798782e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000002810822,"about_ca_system_score_gemma":0.00004616177,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002209896,"about_ca_topic_score_gemma":0.000002857521,"domain_scores_codex":[0.9980467,0.0002028694,0.0007642511,0.0006926318,0.00005138877,0.0002421769],"domain_scores_gemma":[0.9993483,0.0001044263,0.0002564812,0.0001460549,0.00002780334,0.0001169305],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00207207,0.003415867,0.001201948,0.01733205,0.003153768,0.0001017199,0.0009139764,0.00005986244,0.6768895,0.0002473104,0.005254135,0.2893578],"study_design_scores_gemma":[0.004058639,0.001805733,0.001050097,0.0003629153,0.001983488,0.0001283401,0.00005030428,0.00003611171,0.0241459,0.00007468166,0.9654171,0.0008866506],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.3924511,0.6059904,0.00001653874,0.00002292176,0.0008289429,0.0004595198,0.0001990227,0.00001076924,0.00002076066],"genre_scores_gemma":[0.3250745,0.6726605,0.00006457113,0.0003015752,0.0008355028,0.00003248947,0.0009690676,0.00002267216,0.00003905609],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.960163,"threshold_uncertainty_score":0.9999437,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03550445249636067,"score_gpt":0.3843074651931032,"score_spread":0.3488030126967425,"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."}}