{"id":"W2030163034","doi":"10.1016/s0014-5793(04)00271-6","title":"Computer simulation of the KvAP voltage‐gated potassium channel: steered molecular dynamics of the voltage sensor","year":2004,"lang":"en","type":"article","venue":"FEBS Letters","topic":"Ion channel regulation and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":51,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Canadian Institutes of Health Research; Western Canada Research Grid; Fondation pour la Recherche Médicale; Università degli Studi di Milano","keywords":"Gating; Paddle; Chemistry; Molecular dynamics; Potassium channel; Protein structure; Chemical physics; Membrane potential; Ion channel; Crystallography; Biophysics; Materials science; Biochemistry; Computational chemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009088287,0.00012729,0.0001164041,0.00003363914,0.0000712803,0.000009351169,0.0001841685,0.0001181188,0.000009932296],"category_scores_gemma":[0.0000303118,0.00008714463,0.0001683657,0.0001672871,0.0001155798,0.00000477807,0.00009360246,0.00008395902,0.000002812149],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004394354,"about_ca_system_score_gemma":0.00003775761,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002392606,"about_ca_topic_score_gemma":0.000009408159,"domain_scores_codex":[0.9991757,0.00005537502,0.0002332748,0.0001923068,0.0002018723,0.0001414639],"domain_scores_gemma":[0.9992789,0.000009062059,0.0001978286,0.0003789298,0.0001093551,0.00002593744],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00003457103,0.00002710016,0.0001979867,0.00001642039,0.00003186523,4.919392e-7,0.00006516271,0.4794784,0.5196666,0.00007149695,0.0002026856,0.0002072536],"study_design_scores_gemma":[0.00170598,0.000139065,0.01030679,0.00006704353,0.00005749521,0.000008409223,0.00007922142,0.1309274,0.8534138,0.0001138222,0.00290829,0.000272609],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8170009,0.00001464452,0.1798189,0.002158114,0.0006558666,0.0002545936,0.00003045152,0.000009939211,0.00005664916],"genre_scores_gemma":[0.9979234,0.000001143198,0.00009313892,0.001443723,0.000166226,0.000002885303,0.00008929704,0.00001929792,0.0002609376],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3485509,"threshold_uncertainty_score":0.3553655,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007194654709162664,"score_gpt":0.211588428129595,"score_spread":0.2043937734204323,"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."}}