{"id":"W2074006469","doi":"10.1080/00268970512331316201","title":"Analysis of K<sup>+</sup>/Na<sup>+</sup>selectivity of KcsA potassium channel with reference interaction site model theory","year":2005,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Ion channel regulation and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Solvation; KcsA potassium channel; Chemistry; Ion; Selectivity; Molecular dynamics; Computational chemistry; Atomic physics; Physics; Ion channel","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true,"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":[0.0002079876,0.0002054497,0.0003089657,0.0002339848,0.0001499736,0.0001843868,0.000407989,0.0002296483,0.0009743334],"category_scores_gemma":[0.000466461,0.00008448631,0.0003922315,0.000194784,0.0002605561,0.0002960435,0.0001587644,0.0002084776,0.00007963648],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004474786,"about_ca_system_score_gemma":0.0003083916,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003404696,"about_ca_topic_score_gemma":0.001405586,"domain_scores_codex":[0.9999455,0.00001027978,0.000002939543,0.000007769449,0.00002007381,0.00001345317],"domain_scores_gemma":[0.999849,0.00007608232,0.00002137706,0.00001221554,0.0000322618,0.00000904931],"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":[0.0002940093,0.0000575381,0.007572121,0.000155208,0.00007706566,0.0002829694,0.0001008415,0.7819319,0.1918175,0.01052446,0.0002801354,0.006906278],"study_design_scores_gemma":[0.000005008819,0.00003212661,0.001680092,0.000001547088,0.000006052642,0.00002396187,0.00001351858,0.9869887,0.01049163,0.0006665502,0.0000849139,0.000005956816],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9830354,0.0001196969,0.01581444,0.00005211996,0.000002986518,0.000005618331,0.00007626417,0.00008724497,0.0008061926],"genre_scores_gemma":[0.9985363,0.00003258992,0.001245655,0.000004723316,9.74965e-7,0.000004161277,0.00004002264,0.000008074151,0.000127531],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003404696,"threshold_uncertainty_score":0.006769776,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01262818127522441,"score_gpt":0.2415357158745166,"score_spread":0.2289075345992922,"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."}}