{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000556144,0.001224989,0.002059267,0.0008860236,0.000302098,0.0008601,0.001830255,0.001824311,0.001395119],"category_scores_gemma":[0.001015392,0.0006459992,0.0005833572,0.002078194,0.0009008573,0.001739069,0.000812566,0.001245229,0.001993434],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009306681,"about_ca_system_score_gemma":0.0008640658,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001841268,"about_ca_topic_score_gemma":0.00166624,"domain_scores_codex":[0.9997579,0.00005471673,0.00002344614,0.00004097109,0.0001047668,0.00001807466],"domain_scores_gemma":[0.9996789,0.0001503414,0.0000258757,0.00001998385,0.00009921895,0.00002572927],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001531661,0.0001146916,0.000510681,0.01464092,0.000252494,0.0002775936,0.0001821733,0.06986389,0.009049418,0.04426099,0.03160993,0.8290841],"study_design_scores_gemma":[0.00007094408,0.0001058532,0.0005357559,0.001914942,0.0001060606,0.000922995,0.00007794879,0.02349489,0.005265291,0.03835958,0.9290699,0.0000759315],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.001134754,0.9832586,0.01067038,0.0006624594,0.0002943218,0.0000133783,0.00004777043,0.0001042864,0.003814036],"genre_scores_gemma":[0.005847071,0.9858254,0.005659971,0.0001782384,0.0002180958,0.00004118181,0.0001144477,0.00002879567,0.002086853],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.002059267,"threshold_uncertainty_score":0.006752491,"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."}}