{"id":"W2048578592","doi":"10.1016/j.bpj.2013.11.2439","title":"Molecular Dynamics Studies of Ion Permeation in Human Voltage-Gated Proton Channel","year":2014,"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":"Hospital for Sick Children; University of Toronto","funders":"","keywords":"Chemistry; Molecular dynamics; Permeation; Biophysics; Membrane; Side chain; Salt bridge; Static electricity; Proton; Ion; Selectivity; Mutant; Computational chemistry; Biochemistry; Polymer; Organic chemistry","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":[0.0000915249,0.0001256563,0.0001427604,0.0001040501,0.000304717,0.0001801915,0.0001804126,0.0002042148,0.0007221572],"category_scores_gemma":[0.0002610631,0.0001077651,0.0001740421,0.0001478131,0.0002044777,0.0003844353,0.00008846103,0.0003299454,0.0001050683],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004230175,"about_ca_system_score_gemma":0.0002310275,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003005149,"about_ca_topic_score_gemma":0.002133612,"domain_scores_codex":[0.9999721,0.000004739702,0.000001444396,0.000008070337,0.000006794278,0.00000691141],"domain_scores_gemma":[0.999922,0.00003476008,0.00001250461,0.000005969232,0.00001000814,0.00001472893],"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":[0.001246601,0.0002530606,0.01052138,0.0001375363,0.00008825665,0.0008900109,0.0007018269,0.03478993,0.9335027,0.006453338,0.0008914592,0.01052407],"study_design_scores_gemma":[0.0001909244,0.0005496668,0.05400366,0.00003083306,0.000100652,0.001843605,0.0005200207,0.4425913,0.4910832,0.00342931,0.005564769,0.000092148],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978244,0.0001842155,0.001251344,0.00008477118,0.000004108415,0.00000385135,0.00008487335,0.00001590323,0.000546632],"genre_scores_gemma":[0.9987378,0.000156037,0.0007170818,0.00001639419,0.000002269261,0.00000539248,0.0001436176,0.000006599536,0.0002148531],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003005149,"threshold_uncertainty_score":0.005975306,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01526839075727025,"score_gpt":0.2783781946262301,"score_spread":0.2631098038689598,"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."}}