{"id":"W2127472214","doi":"10.1124/jpet.111.189159","title":"Structure-Guided Topographic Mapping and Mutagenesis to Elucidate Binding Sites for the Human Ether-a-Go-Go-Related Gene 1 Potassium Channel (KCNH2) Activator NS1643","year":2012,"lang":"en","type":"article","venue":"Journal of Pharmacology and Experimental Therapeutics","topic":"Cardiac electrophysiology and arrhythmias","field":"Medicine","cited_by":30,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"Canadian Institutes of Health Research","keywords":"Homology modeling; Docking (animal); Allosteric regulation; Mutagenesis; hERG; In silico; Activator (genetics); Site-directed mutagenesis; Amino acid; Binding site; Potassium channel; Transmembrane domain; Alanine; Biochemistry; Chemistry; Biology; Biophysics; Mutant; Gene; Receptor; Enzyme","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002688886,0.0003357191,0.0003278977,0.0001749167,0.0003030361,0.0002462439,0.0004356856,0.0003045729,0.001421781],"category_scores_gemma":[0.0003232762,0.0001873026,0.0002954575,0.0001524079,0.0002267677,0.000174199,0.0002229523,0.0005990326,0.0003900001],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005251326,"about_ca_system_score_gemma":0.0006097052,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002771336,"about_ca_topic_score_gemma":0.007195351,"domain_scores_codex":[0.9998429,0.00003974809,0.00001091778,0.00002152787,0.00005972879,0.00002518195],"domain_scores_gemma":[0.9999175,0.00002445715,0.00001764026,0.00000781681,0.00001815491,0.0000144727],"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":[0.0004174925,0.0001417406,0.0005385795,0.00006451211,0.00001503139,0.0002192723,0.00004773881,0.00429346,0.9888959,0.0008807856,0.0002002574,0.004285121],"study_design_scores_gemma":[0.0002250512,0.0004563787,0.002826003,0.00001450595,0.00005636978,0.0006010856,0.0001472001,0.04902005,0.9419355,0.0004043283,0.004283768,0.00002975565],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9764833,0.0005599928,0.02052869,0.0002215386,0.00004429323,0.000119307,0.0002655452,0.0001252233,0.001651965],"genre_scores_gemma":[0.9814745,0.0003290954,0.01663366,0.00008651829,0.000005721141,0.00003808695,0.0003505717,0.00003213709,0.001049855],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002771336,"threshold_uncertainty_score":0.00551039,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04324599500790983,"score_gpt":0.3572633755001565,"score_spread":0.3140173804922467,"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."}}