{"id":"W2330299593","doi":"10.1016/j.bpj.2014.11.3143","title":"Molecular Dynamics Study of Ion Conduction and Selectivity in a Prokaryotic Ion Channel","year":2015,"lang":"en","type":"article","venue":"Biophysical Journal","topic":"Ion channel regulation and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université de Montréal","funders":"","keywords":"Chemistry; Ion; Molecular dynamics; Selectivity; Potassium; Ion channel; Sodium; Helix (gastropod); Thermal conduction; Potassium channel; Chemical physics; Crystallography; Biophysics; Materials science; Computational chemistry; Biochemistry","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":[0.000107596,0.0001920677,0.0002958181,0.000213601,0.0006414491,0.0004271438,0.0004388884,0.0003114734,0.0009707891],"category_scores_gemma":[0.0004960667,0.0001693266,0.0001987832,0.000235152,0.0006166841,0.0005835007,0.0002396352,0.0007090505,0.00008966438],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009288498,"about_ca_system_score_gemma":0.0005523952,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004889613,"about_ca_topic_score_gemma":0.00207317,"domain_scores_codex":[0.9999566,0.000004855197,0.00000168546,0.000008946381,0.00001313926,0.00001480713],"domain_scores_gemma":[0.9998484,0.00006044569,0.00001613622,0.00001134802,0.00002344719,0.00004029671],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001118013,0.0005142024,0.01096907,0.0002621251,0.0001170293,0.00108948,0.0009645692,0.295797,0.6302166,0.04258373,0.00121626,0.01515183],"study_design_scores_gemma":[0.0001063295,0.0001542539,0.006914706,0.00001008061,0.00001878208,0.0001121647,0.000196565,0.9543898,0.03327712,0.003787337,0.001006229,0.00002666245],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9951376,0.0001679193,0.002770483,0.0002458957,0.00001497303,0.000008770067,0.00004494051,0.00004181532,0.00156758],"genre_scores_gemma":[0.9988627,0.00008958085,0.000817213,0.00001301756,0.000004089973,0.000005523916,0.00003886147,0.000008156424,0.0001609083],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004889613,"threshold_uncertainty_score":0.009722292,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01993982866201987,"score_gpt":0.2598793210748537,"score_spread":0.2399394924128339,"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."}}