{"id":"W2913799359","doi":"10.1016/j.bpj.2018.11.2984","title":"Modelling of Ion Binding and Selectivity in SLC4 Transporters","year":2019,"lang":"en","type":"article","venue":"Biophysical Journal","topic":"Ion Transport and Channel Regulation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Cotransporter; Protonation; Transporter; Solute carrier family; Biophysics; Crystallography; Homology modeling; Ion transporter; Molecular dynamics; Ion; Biochemistry; Membrane; Sodium; Biology; Computational chemistry; Gene","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":[0.0003929409,0.0005686255,0.0009991446,0.0005112292,0.000712933,0.001490944,0.001453282,0.002590293,0.005680718],"category_scores_gemma":[0.001377405,0.0005629843,0.0008707618,0.0007887798,0.0007542314,0.0007479952,0.0004544155,0.0007701093,0.00067952],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002335437,"about_ca_system_score_gemma":0.002114787,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.03081623,"about_ca_topic_score_gemma":0.01266185,"domain_scores_codex":[0.999721,0.00008127371,0.00001254098,0.00004431498,0.00005932511,0.0000815172],"domain_scores_gemma":[0.9994704,0.000296663,0.00004546061,0.00003053041,0.00009737278,0.0000596126],"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":[0.00008479119,0.00002907637,0.0005713905,0.00005123973,0.00001573431,0.0001270021,0.00004473955,0.9843712,0.003147147,0.01028067,0.0003771924,0.0008997005],"study_design_scores_gemma":[0.00003063331,0.00001454767,0.0002293289,0.000006155876,0.000005636486,0.00002129731,0.00002141967,0.9963301,0.000478081,0.002320475,0.0005332893,0.000009013902],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8538976,0.001008957,0.07984326,0.001849997,0.0001295299,0.0001077492,0.002213617,0.0005414793,0.0604079],"genre_scores_gemma":[0.9868509,0.0003125978,0.006409342,0.0001235227,0.00001713809,0.0000897451,0.0004613589,0.00009345275,0.00564183],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03081623,"threshold_uncertainty_score":0.06127369,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0110610246863107,"score_gpt":0.2130375494570354,"score_spread":0.2019765247707247,"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."}}