{"id":"W2064715489","doi":"10.1103/physreve.74.030905","title":"Nonequilibrium molecular dynamics calculation of the conductance of the KcsA potassium ion channel","year":2006,"lang":"en","type":"article","venue":"Physical Review E","topic":"Ion channel regulation and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph","funders":"","keywords":"KcsA potassium channel; Conductance; Ion; Non-equilibrium thermodynamics; Potassium channel; Materials science; Channel (broadcasting); Chemical physics; Molecular dynamics; Potassium; Ion channel; Thermodynamics; Chemistry; Biophysics; Physics; Condensed matter physics; Computational chemistry; Computer science; Quantum mechanics","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":[0.0005523673,0.0004162405,0.0008080224,0.0004563503,0.000863826,0.0005796286,0.001132623,0.0009793083,0.001533274],"category_scores_gemma":[0.002056248,0.0004436966,0.0004796764,0.0004882216,0.001107323,0.000773863,0.0005715493,0.001004594,0.0002459783],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001142001,"about_ca_system_score_gemma":0.002010842,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0121301,"about_ca_topic_score_gemma":0.009999262,"domain_scores_codex":[0.9998995,0.00003143396,0.000004357283,0.000009295635,0.00003476702,0.00002055627],"domain_scores_gemma":[0.9994686,0.0002553576,0.0000337041,0.00006153179,0.0001195777,0.00006111318],"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":[0.0000567672,0.00005353662,0.0008152378,0.00005545964,0.00002624664,0.0001344022,0.00006263603,0.955357,0.002313667,0.03827094,0.0004295927,0.002424442],"study_design_scores_gemma":[0.0000166511,0.00000689487,0.0001208761,0.0000026419,0.000002576643,0.000004900057,0.000005820832,0.9973497,0.0001898927,0.002107949,0.0001881196,0.00000387104],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7341256,0.0007008331,0.243902,0.00157736,0.0002007871,0.0001523403,0.0005023493,0.0004420192,0.01839684],"genre_scores_gemma":[0.942889,0.0003848375,0.05281482,0.0001536357,0.00004632939,0.0003410112,0.0002447832,0.0001272502,0.002998277],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0121301,"threshold_uncertainty_score":0.02411896,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008581396953699336,"score_gpt":0.2512359308807903,"score_spread":0.242654533927091,"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."}}