{"id":"https://openalex.org/W4311282071","doi":"https://doi.org/10.1021/acs.jcim.2c01028","title":"Early Steps in C-Type Inactivation of the hERG Potassium Channel","display_name":"Early Steps in C-Type Inactivation of the hERG Potassium Channel","publication_year":2022,"publication_date":"2022-12-13","ids":{"openalex":"https://openalex.org/W4311282071","doi":"https://doi.org/10.1021/acs.jcim.2c01028","pmid":"https://pubmed.ncbi.nlm.nih.gov/36512342"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.2c01028","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c01028","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01028","source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01028","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5024598149","display_name":"Francesco Pettini","orcid":"https://orcid.org/0000-0002-5820-1425"},"institutions":[{"id":"https://openalex.org/I102064193","display_name":"University of Siena","ror":"https://ror.org/01tevnk56","country_code":"IT","type":"education","lineage":["https://openalex.org/I102064193"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Francesco Pettini","raw_affiliation_strings":["Department of Biotechnology, Chemistry and Pharmacy, University of Siena, viale Mario Bracci 12, Siena 53100, Italy","Department of Medical Biotechnologies, University of Siena, viale Mario Bracci 12, Siena 53100, Italy"],"raw_orcid":"https://orcid.org/0000-0002-5820-1425","affiliations":[{"raw_affiliation_string":"Department of Biotechnology, Chemistry and Pharmacy, University of Siena, viale Mario Bracci 12, Siena 53100, Italy","institution_ids":["https://openalex.org/I102064193"]},{"raw_affiliation_string":"Department of Medical Biotechnologies, University of Siena, viale Mario Bracci 12, Siena 53100, Italy","institution_ids":["https://openalex.org/I102064193"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074261138","display_name":"C\u00e1rmen Domene","orcid":"https://orcid.org/0000-0001-7115-4232"},"institutions":[{"id":"https://openalex.org/I131579929","display_name":"Mansfield University","ror":"https://ror.org/01emtgd92","country_code":"US","type":"education","lineage":["https://openalex.org/I131579929"]},{"id":"https://openalex.org/I40120149","display_name":"University of Oxford","ror":"https://ror.org/052gg0110","country_code":"GB","type":"education","lineage":["https://openalex.org/I40120149"]},{"id":"https://openalex.org/I51601045","display_name":"University of Bath","ror":"https://ror.org/002h8g185","country_code":"GB","type":"education","lineage":["https://openalex.org/I51601045"]}],"countries":["GB","US"],"is_corresponding":true,"raw_author_name":"Carmen Domene","raw_affiliation_strings":["Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, U.K","Department of Chemistry, University of Oxford, Mansfield Road, Oxford OX1 3TA, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, U.K","institution_ids":["https://openalex.org/I51601045"]},{"raw_affiliation_string":"Department of Chemistry, University of Oxford, Mansfield Road, Oxford OX1 3TA, U.K","institution_ids":["https://openalex.org/I131579929","https://openalex.org/I40120149"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5022820593","display_name":"Simone Furini","orcid":"https://orcid.org/0000-0002-1099-8279"},"institutions":[{"id":"https://openalex.org/I2801039369","display_name":"Marconi University","ror":"https://ror.org/00j0rk173","country_code":"IT","type":"education","lineage":["https://openalex.org/I2801039369"]},{"id":"https://openalex.org/I4210098188","display_name":"Laboratori Guglielmo Marconi (Italy)","ror":"https://ror.org/01r3vad87","country_code":"IT","type":"company","lineage":["https://openalex.org/I4210098188"]},{"id":"https://openalex.org/I9360294","display_name":"University of Bologna","ror":"https://ror.org/01111rn36","country_code":"IT","type":"education","lineage":["https://openalex.org/I9360294"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Simone Furini","raw_affiliation_strings":["Department of Electrical, Electronic and Information Engineering \u2033Guglielmo Marconi\u201d, University of Bologna, via dell\u2019Universit\u00e0 50, Cesena (FC) 47521, Italy"],"raw_orcid":"https://orcid.org/0000-0002-1099-8279","affiliations":[{"raw_affiliation_string":"Department of Electrical, Electronic and Information Engineering \u2033Guglielmo Marconi\u201d, University of Bologna, via dell\u2019Universit\u00e0 50, Cesena (FC) 47521, Italy","institution_ids":["https://openalex.org/I4210098188","https://openalex.org/I2801039369","https://openalex.org/I9360294"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5022820593","https://openalex.org/A5074261138"],"corresponding_institution_ids":["https://openalex.org/I131579929","https://openalex.org/I2801039369","https://openalex.org/I40120149","https://openalex.org/I4210098188","https://openalex.org/I51601045","https://openalex.org/I9360294"],"apc_list":null,"apc_paid":null,"fwci":2.0797,"has_fulltext":true,"cited_by_count":25,"citation_normalized_percentile":{"value":0.87893608,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"63","issue":"1","first_page":"251","last_page":"258"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10493","display_name":"Ion channel regulation and function","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10493","display_name":"Ion channel regulation and function","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10217","display_name":"Cardiac electrophysiology and arrhythmias","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/2705","display_name":"Cardiology and Cardiovascular Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T12495","display_name":"Electrostatic Discharge in Electronics","score":0.9861000180244446,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/herg","display_name":"hERG","score":0.9890322089195251},{"id":"https://openalex.org/keywords/kcsa-potassium-channel","display_name":"KcsA potassium channel","score":0.8030400276184082},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6978317499160767},{"id":"https://openalex.org/keywords/potassium-channel","display_name":"Potassium channel","score":0.6955356001853943},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.6549718379974365},{"id":"https://openalex.org/keywords/mutant","display_name":"Mutant","score":0.47585269808769226},{"id":"https://openalex.org/keywords/selectivity","display_name":"Selectivity","score":0.47328492999076843},{"id":"https://openalex.org/keywords/extracellular","display_name":"Extracellular","score":0.44965648651123047},{"id":"https://openalex.org/keywords/wild-type","display_name":"Wild type","score":0.41467222571372986},{"id":"https://openalex.org/keywords/ion-channel","display_name":"Ion channel","score":0.39616695046424866},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.3021296262741089},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.15784510970115662},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.08802607655525208},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.0648995041847229}],"concepts":[{"id":"https://openalex.org/C2779362680","wikidata":"https://www.wikidata.org/wiki/Q905000","display_name":"hERG","level":3,"score":0.9890322089195251},{"id":"https://openalex.org/C45516822","wikidata":"https://www.wikidata.org/wiki/Q6382011","display_name":"KcsA potassium channel","level":4,"score":0.8030400276184082},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6978317499160767},{"id":"https://openalex.org/C83743174","wikidata":"https://www.wikidata.org/wiki/Q423778","display_name":"Potassium channel","level":2,"score":0.6955356001853943},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.6549718379974365},{"id":"https://openalex.org/C143065580","wikidata":"https://www.wikidata.org/wiki/Q3285695","display_name":"Mutant","level":3,"score":0.47585269808769226},{"id":"https://openalex.org/C118792377","wikidata":"https://www.wikidata.org/wiki/Q108584245","display_name":"Selectivity","level":3,"score":0.47328492999076843},{"id":"https://openalex.org/C28406088","wikidata":"https://www.wikidata.org/wiki/Q5571762","display_name":"Extracellular","level":2,"score":0.44965648651123047},{"id":"https://openalex.org/C207583985","wikidata":"https://www.wikidata.org/wiki/Q128723","display_name":"Wild type","level":4,"score":0.41467222571372986},{"id":"https://openalex.org/C50254741","wikidata":"https://www.wikidata.org/wiki/Q62536","display_name":"Ion channel","level":3,"score":0.39616695046424866},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3021296262741089},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.15784510970115662},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.08802607655525208},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.0648995041847229},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D011188","descriptor_name":"Potassium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011188","descriptor_name":"Potassium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011188","descriptor_name":"Potassium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051638","descriptor_name":"Ether-A-Go-Go Potassium Channels","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D051638","descriptor_name":"Ether-A-Go-Go Potassium Channels","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D051638","descriptor_name":"Ether-A-Go-Go Potassium Channels","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D051638","descriptor_name":"Ether-A-Go-Go Potassium Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D051638","descriptor_name":"Ether-A-Go-Go Potassium Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D051638","descriptor_name":"Ether-A-Go-Go Potassium Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":5,"locations":[{"id":"doi:10.1021/acs.jcim.2c01028","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c01028","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01028","source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:36512342","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36512342","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:cris.unibo.it:11585/917534","is_oa":true,"landing_page_url":"https://hdl.handle.net/11585/917534","pdf_url":"https://cris.unibo.it/bitstream/11585/917534/1/Pettini%2c%20Domene%2c%20Furini_2023_Early%20Steps%20in%20C-Type%20Inactivation%20of%20the%20hERG%20Potassium%20Channel.pdf","source":{"id":"https://openalex.org/S4306402579","display_name":"Archivio istituzionale della ricerca (Alma Mater Studiorum Universit\u00e0 di Bologna)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210117483","host_organization_name":"Istituto di Ematologia di Bologna","host_organization_lineage":["https://openalex.org/I4210117483"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:usiena-air.unisi.it:11365/1295357","is_oa":true,"landing_page_url":"https://hdl.handle.net/11365/1295357","pdf_url":"https://usiena-air.unisi.it/bitstream/11365/1295357/2/early-steps-in-c-type-inactivation-of-the-herg-potassium-channel.pdf","source":{"id":"https://openalex.org/S4377196319","display_name":"Use Siena air (University of Siena)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I102064193","host_organization_name":"University of Siena","host_organization_lineage":["https://openalex.org/I102064193"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:pubmedcentral.nih.gov:9832476","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9832476","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.2c01028","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c01028","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01028","source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation","score":0.7300000190734863}],"awards":[{"id":"https://openalex.org/G1698145270","display_name":null,"funder_award_id":"730897","funder_id":"https://openalex.org/F4320332999","funder_display_name":"Horizon 2020 Framework Programme"},{"id":"https://openalex.org/G2087520253","display_name":null,"funder_award_id":"EP/R029407/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G3390685744","display_name":"The UK High-End Computing Consortium for Biomolecular Simulation","funder_award_id":"EP/R029407/1","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G3835265546","display_name":null,"funder_award_id":"R029407","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G4246953992","display_name":null,"funder_award_id":"INFRAIA-2016-1-730897","funder_id":"https://openalex.org/F4320332999","funder_display_name":"Horizon 2020 Framework Programme"},{"id":"https://openalex.org/G5045220161","display_name":null,"funder_award_id":"H2020","funder_id":"https://openalex.org/F4320334627","funder_display_name":"Engineering and Physical Sciences Research Council"},{"id":"https://openalex.org/G5649716739","display_name":null,"funder_award_id":"HPC-EUROPA3","funder_id":"https://openalex.org/F4320332999","funder_display_name":"Horizon 2020 Framework Programme"},{"id":"https://openalex.org/G6128588665","display_name":"Transnational Access Programme for a Pan-European Network of HPC Research Infrastructures and Laboratories for scientific computing","funder_award_id":"730897","funder_id":"https://openalex.org/F4320338338","funder_display_name":"H2020 Research Infrastructures"},{"id":"https://openalex.org/G8096572912","display_name":null,"funder_award_id":"INFRAIA-2016-1","funder_id":"https://openalex.org/F4320332999","funder_display_name":"Horizon 2020 Framework Programme"}],"funders":[{"id":"https://openalex.org/F4320321047","display_name":"Partnership for Advanced Computing in Europe AISBL","ror":"https://ror.org/038j4hz26"},{"id":"https://openalex.org/F4320332999","display_name":"Horizon 2020 Framework Programme","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320334627","display_name":"Engineering and Physical Sciences Research Council","ror":"https://ror.org/0439y7842"},{"id":"https://openalex.org/F4320338338","display_name":"H2020 Research Infrastructures","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4311282071.pdf","grobid_xml":"https://content.openalex.org/works/W4311282071.grobid-xml"},"referenced_works_count":45,"referenced_works":["https://openalex.org/W1963480981","https://openalex.org/W1968098810","https://openalex.org/W1976499671","https://openalex.org/W1981225934","https://openalex.org/W1984804635","https://openalex.org/W1987884566","https://openalex.org/W1988608385","https://openalex.org/W2016381774","https://openalex.org/W2017835622","https://openalex.org/W2021520922","https://openalex.org/W2027644219","https://openalex.org/W2029667189","https://openalex.org/W2035687084","https://openalex.org/W2038758364","https://openalex.org/W2040083201","https://openalex.org/W2040826404","https://openalex.org/W2049275371","https://openalex.org/W2053479262","https://openalex.org/W2059625243","https://openalex.org/W2065283382","https://openalex.org/W2068739250","https://openalex.org/W2073268852","https://openalex.org/W2074705578","https://openalex.org/W2120269518","https://openalex.org/W2124653618","https://openalex.org/W2125271591","https://openalex.org/W2150981663","https://openalex.org/W2165830038","https://openalex.org/W2168256522","https://openalex.org/W2170711116","https://openalex.org/W2404280981","https://openalex.org/W2607224862","https://openalex.org/W2769677126","https://openalex.org/W2883325391","https://openalex.org/W2972517328","https://openalex.org/W3001344158","https://openalex.org/W3003257820","https://openalex.org/W3093033825","https://openalex.org/W3103145119","https://openalex.org/W3111236840","https://openalex.org/W3124069934","https://openalex.org/W3186114123","https://openalex.org/W3188874224","https://openalex.org/W4220824989","https://openalex.org/W4225819672"],"related_works":["https://openalex.org/W2094256659","https://openalex.org/W2059142733","https://openalex.org/W2902463392","https://openalex.org/W2224561562","https://openalex.org/W2385176120","https://openalex.org/W591522727","https://openalex.org/W2477223983","https://openalex.org/W2566712748","https://openalex.org/W2388409414","https://openalex.org/W1964429833"],"abstract_inverted_index":{"-channels.":[0],"Experimental":[1],"data":[2],"and":[3,76,91],"computational":[4],"work":[5],"on":[6],"the":[7,12,22,43,47,57,69,83,95,107,116,121,125,130,142,147,151,157,171,182,186,193],"bacterial":[8],"KcsA":[9],"channel":[10,38,85,152,187],"support":[11,170],"hypothesis":[13,172],"that":[14,25,79,173],"C-type":[15,98,174],"inactivation":[16,99,160,175],"results":[17],"from":[18,129],"a":[19,35,40,72,77,179,190],"closure":[20,191],"of":[21,34,42,46,59,68,94,106,115,124,134,139,141,150,159,181,185,192],"selectivity":[23,48,108,126,194],"filter":[24,109,127],"sterically":[26],"impedes":[27],"ion":[28,60],"conduction.":[29],"Alternatively,":[30],"recent":[31],"experimental":[32],"structures":[33],"mutated":[36],"Shaker":[37],"revealed":[39],"widening":[41,140,180],"extracellular":[44,122,148,183],"portion":[45],"filter,":[49],"which":[50,90],"might":[51],"diminish":[52],"conductance":[53],"by":[54],"interfering":[55],"with":[56,161],"mechanism":[58],"permeation.":[61],"Here,":[62],"we":[63],"performed":[64],"molecular":[65],"dynamics":[66],"simulations":[67],"wild-type":[70,84,164],"hERG,":[71],"non-inactivating":[73],"mutant":[74,78],"(hERG-N629D),":[75],"inactivates":[80],"faster":[81],"than":[82,189],"(hERG-F627Y)":[86],"to":[87,102,156],"find":[88],"out":[89],"if":[92],"any":[93,114],"two":[96],"reported":[97],"mechanisms":[100],"applies":[101],"hERG.":[103],"Closure":[104],"events":[105],"were":[110],"not":[111],"observed":[112],"in":[113,176],"simulated":[117],"trajectories":[118],"but":[119],"instead,":[120],"section":[123],"deviated":[128],"canonical":[131],"conductive":[132],"structure":[133],"potassium":[135,143],"channels.":[136],"The":[137],"degree":[138,158],"binding":[144],"sites":[145],"at":[146],"entrance":[149,184],"was":[153],"directly":[154],"related":[155],"hERG-F627Y":[162],">":[163,166],"hERG":[165,177],"hERG-N629D.":[167],"These":[168],"findings":[169],"entails":[178],"rather":[188],"filter.":[195]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":17},{"year":2023,"cited_by_count":3}],"updated_date":"2026-05-10T08:33:47.465468","created_date":"2025-10-10T00:00:00"}