{"id":"https://openalex.org/W4411056411","doi":"https://doi.org/10.1021/acs.jcim.5c00307","title":"Asymmetric Nature of MscL Opening Revealed by Molecular Dynamics Simulations","display_name":"Asymmetric Nature of MscL Opening Revealed by Molecular Dynamics Simulations","publication_year":2025,"publication_date":"2025-06-05","ids":{"openalex":"https://openalex.org/W4411056411","doi":"https://doi.org/10.1021/acs.jcim.5c00307","pmid":"https://pubmed.ncbi.nlm.nih.gov/40471653"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5c00307","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c00307","pdf_url":null,"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://doi.org/10.1021/acs.jcim.5c00307","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5030137035","display_name":"Olga N. Rogacheva","orcid":"https://orcid.org/0000-0001-7084-4215"},"institutions":[{"id":"https://openalex.org/I4210088711","display_name":"Max Planck Institute for Dynamics and Self-Organization","ror":"https://ror.org/0087djs12","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210088711"]},{"id":"https://openalex.org/I4387154714","display_name":"Max Planck Institute for Multidisciplinary Sciences","ror":"https://ror.org/03av75f26","country_code":null,"type":"education","lineage":["https://openalex.org/I4387154714"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Olga N. Rogacheva","raw_affiliation_strings":["Computational Biomolecular Dynamics Group, Max Planck Institute for Multidisciplinary Sciences, Am Fassberg 11, G\u00f6ttingen 37077, Germany"],"affiliations":[{"raw_affiliation_string":"Computational Biomolecular Dynamics Group, Max Planck Institute for Multidisciplinary Sciences, Am Fassberg 11, G\u00f6ttingen 37077, Germany","institution_ids":["https://openalex.org/I4210088711","https://openalex.org/I4387154714"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5030524633","display_name":"Wojciech Kope\u0107","orcid":"https://orcid.org/0000-0001-8801-9563"},"institutions":[{"id":"https://openalex.org/I4210088711","display_name":"Max Planck Institute for Dynamics and Self-Organization","ror":"https://ror.org/0087djs12","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210088711"]},{"id":"https://openalex.org/I166337079","display_name":"Queen Mary University of London","ror":"https://ror.org/026zzn846","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I166337079"]},{"id":"https://openalex.org/I4387154714","display_name":"Max Planck Institute for Multidisciplinary Sciences","ror":"https://ror.org/03av75f26","country_code":null,"type":"education","lineage":["https://openalex.org/I4387154714"]}],"countries":["DE","GB"],"is_corresponding":true,"raw_author_name":"Wojciech Kopec","raw_affiliation_strings":["Computational Biomolecular Dynamics Group, Max Planck Institute for Multidisciplinary Sciences, Am Fassberg 11, G\u00f6ttingen 37077, Germany","Department of Chemistry, Queen Mary University of London, Mile End Road, London E1 4NS, United Kingdom"],"affiliations":[{"raw_affiliation_string":"Computational Biomolecular Dynamics Group, Max Planck Institute for Multidisciplinary Sciences, Am Fassberg 11, G\u00f6ttingen 37077, Germany","institution_ids":["https://openalex.org/I4210088711","https://openalex.org/I4387154714"]},{"raw_affiliation_string":"Department of Chemistry, Queen Mary University of London, Mile End Road, London E1 4NS, United Kingdom","institution_ids":["https://openalex.org/I166337079"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5030524633"],"corresponding_institution_ids":["https://openalex.org/I166337079","https://openalex.org/I4210088711","https://openalex.org/I4387154714"],"apc_list":null,"apc_paid":null,"fwci":0.7384,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.72918568,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":97,"max":99},"biblio":{"volume":"65","issue":"12","first_page":"6129","last_page":"6143"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10913","display_name":"Molecular Junctions and Nanostructures","score":0.9961000084877014,"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"}},"topics":[{"id":"https://openalex.org/T10913","display_name":"Molecular Junctions and Nanostructures","score":0.9961000084877014,"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"}},{"id":"https://openalex.org/T10923","display_name":"Force Microscopy Techniques and Applications","score":0.9957000017166138,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9948999881744385,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.7442566156387329},{"id":"https://openalex.org/keywords/dynamics","display_name":"Dynamics (music)","score":0.6097665429115295},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.43059951066970825},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.34620600938796997},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.34538576006889343},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.3415844440460205},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.32798439264297485},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.2757883071899414},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.2745051980018616},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.21982648968696594}],"concepts":[{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7442566156387329},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.6097665429115295},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.43059951066970825},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.34620600938796997},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.34538576006889343},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.3415844440460205},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.32798439264297485},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2757883071899414},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2745051980018616},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.21982648968696594},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D007473","descriptor_name":"Ion Channels","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D007473","descriptor_name":"Ion Channels","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D007473","descriptor_name":"Ion Channels","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D007473","descriptor_name":"Ion Channels","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D007473","descriptor_name":"Ion Channels","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D007473","descriptor_name":"Ion Channels","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D007473","descriptor_name":"Ion Channels","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D007473","descriptor_name":"Ion Channels","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D007473","descriptor_name":"Ion Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D007473","descriptor_name":"Ion Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D007473","descriptor_name":"Ion Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D007473","descriptor_name":"Ion Channels","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015640","descriptor_name":"Ion Channel Gating","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015640","descriptor_name":"Ion Channel Gating","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015640","descriptor_name":"Ion Channel Gating","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015640","descriptor_name":"Ion Channel Gating","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D029968","descriptor_name":"Escherichia coli Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D029968","descriptor_name":"Escherichia coli Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D029968","descriptor_name":"Escherichia coli Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D029968","descriptor_name":"Escherichia coli Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D029968","descriptor_name":"Escherichia coli Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D029968","descriptor_name":"Escherichia coli Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D029968","descriptor_name":"Escherichia coli Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D029968","descriptor_name":"Escherichia coli Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D029968","descriptor_name":"Escherichia coli Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D029968","descriptor_name":"Escherichia coli Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D029968","descriptor_name":"Escherichia coli Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D029968","descriptor_name":"Escherichia coli Proteins","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},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":4,"locations":[{"id":"doi:10.1021/acs.jcim.5c00307","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c00307","pdf_url":null,"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:40471653","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40471653","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:publications.goettingen-research-online.de:2/150059","is_oa":true,"landing_page_url":"https://resolver.sub.uni-goettingen.de/purl?gro-2/150059","pdf_url":null,"source":{"id":"https://openalex.org/S4306401634","display_name":"GoeScholar  The Publication Server of the Georg-August-Universit\u00e4t G\u00f6ttingen (Georg-August-Universit\u00e4t G\u00f6ttingen)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210122495","host_organization_name":"Asklepios Klinik St. Georg","host_organization_lineage":["https://openalex.org/I4210122495"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"yes"},{"id":"pmh:oai:pubmedcentral.nih.gov:12199302","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/12199302","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"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.5c00307","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c00307","pdf_url":null,"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/13","score":0.4699999988079071,"display_name":"Climate action"}],"awards":[{"id":"https://openalex.org/G4583305550","display_name":null,"funder_award_id":"RGY0085/2021","funder_id":"https://openalex.org/F4320320338","funder_display_name":"Human Frontier Science Program"}],"funders":[{"id":"https://openalex.org/F4320320338","display_name":"Human Frontier Science Program","ror":"https://ror.org/02ebx7v45"},{"id":"https://openalex.org/F4320322434","display_name":"Max-Planck-Gesellschaft","ror":"https://ror.org/01hhn8329"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":59,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1624860839","https://openalex.org/W1899806118","https://openalex.org/W1933841971","https://openalex.org/W1968647265","https://openalex.org/W1973893063","https://openalex.org/W1981210322","https://openalex.org/W1982363035","https://openalex.org/W1986668651","https://openalex.org/W1993177346","https://openalex.org/W2006580906","https://openalex.org/W2008305695","https://openalex.org/W2011242225","https://openalex.org/W2012608189","https://openalex.org/W2026149486","https://openalex.org/W2029667189","https://openalex.org/W2035527380","https://openalex.org/W2036487570","https://openalex.org/W2051116535","https://openalex.org/W2060817925","https://openalex.org/W2061946066","https://openalex.org/W2070363777","https://openalex.org/W2071195125","https://openalex.org/W2084261472","https://openalex.org/W2097523022","https://openalex.org/W2099490136","https://openalex.org/W2101590084","https://openalex.org/W2133297205","https://openalex.org/W2134762386","https://openalex.org/W2139447954","https://openalex.org/W2143291390","https://openalex.org/W2144791518","https://openalex.org/W2145326890","https://openalex.org/W2146411229","https://openalex.org/W2147869016","https://openalex.org/W2156448556","https://openalex.org/W2159760243","https://openalex.org/W2159772052","https://openalex.org/W2165254952","https://openalex.org/W2168974130","https://openalex.org/W2464564128","https://openalex.org/W2555870966","https://openalex.org/W2580964123","https://openalex.org/W2753857511","https://openalex.org/W2892512205","https://openalex.org/W2970740744","https://openalex.org/W2979879484","https://openalex.org/W3008003211","https://openalex.org/W3013692424","https://openalex.org/W3036575374","https://openalex.org/W3100126695","https://openalex.org/W3111487926","https://openalex.org/W3208055027","https://openalex.org/W4205103254","https://openalex.org/W4284892547","https://openalex.org/W4366823368","https://openalex.org/W4378071665","https://openalex.org/W4379537507","https://openalex.org/W4394811594"],"related_works":["https://openalex.org/W2023156907","https://openalex.org/W3094899115","https://openalex.org/W1968806281","https://openalex.org/W3095515585","https://openalex.org/W4315498887","https://openalex.org/W4378377190","https://openalex.org/W1773535258","https://openalex.org/W2316398224","https://openalex.org/W4281654480","https://openalex.org/W2001372703"],"abstract_inverted_index":{"The":[0,144,195,210,225,261],"bacterial":[1],"mechanosensitive":[2],"channel,":[3],"MscL,":[4],"opens":[5],"in":[6,245],"response":[7],"to":[8,31,43,92,120,147,255,268],"elevated":[9],"membrane":[10],"tension":[11,25,54,193],"during":[12],"osmotic":[13],"shock.":[14],"Some":[15],"mutations,":[16],"like":[17],"L17A":[18],"and":[19,100,115,131,142,164,180,183,263],"V21A,":[20],"can":[21,265],"reduce":[22],"the":[23,33,45,61,87,93,108,126,129,132,148,153,156,161,169,172,177,186,192,200,206,220,228,233,236,249,270],"activation":[24],"threshold,":[26],"thus":[27],"offering":[28],"an":[29],"approach":[30,264],"study":[32],"mechanism":[34],"of":[35,50,55,72,96,139,155,171,227],"MscL":[36,51,73,99],"gating.":[37],"We":[38,111],"employed":[39,267],"all-atom":[40],"molecular":[41],"dynamics":[42],"simulate":[44],"L17A,":[46],"V21A":[47],"double":[48],"mutant":[49],"under":[52,223],"a":[53,66,102,116,122,136],"30":[56],"mN/m.":[57],"Under":[58],"these":[59],"conditions,":[60],"closed":[62,130,221],"state":[63,89,95,134,212,222,238],"initially":[64],"adopts":[65],"funnel-like":[67],"conformation.":[68],"Subsequently,":[69],"five":[70],"chains":[71,189],"undergo":[74],"sequential":[75],"transitions":[76],"into":[77],"asymmetric":[78],"states":[79],"(S1,":[80],"S2,":[81],"etc.).":[82],"Within":[83],"its":[84],"\"open\"":[85],"fragment,":[86],"S1":[88,133,211,237],"is":[90,213,239,244],"similar":[91],"expanded":[94],"<i>Methanosarcina":[97],"acetivorans</i>":[98],"has":[101],"conductance":[103],"10":[104,241],"times":[105],"lower":[106],"than":[107,219],"open":[109],"state.":[110],"applied":[112],"committor":[113],"analysis":[114],"nonlinear":[117],"regression":[118],"model":[119],"construct":[121],"reaction":[123,149,201],"coordinate":[124,150,202],"for":[125,232],"transition":[127,234,252],"between":[128,160],"as":[135],"linear":[137],"combination":[138],"interatomic":[140],"distances":[141],"contacts.":[143],"main":[145],"contributions":[146],"are":[151],"(1)":[152],"disruption":[154],"\"cytoplasmic\"":[157],"contact":[158],"sites":[159],"considered":[162],"chain":[163],"two":[165,187],"adjacent":[166],"chains,":[167],"(2)":[168],"delipidation":[170],"lipid-binding":[173],"pocket,":[174],"formed":[175],"by":[176],"I82,":[178],"V86,":[179],"V22":[181],"residues,":[182],"(3)":[184],"pulling":[185],"neighboring":[188],"apart":[190],"via":[191],"sensors.":[194],"free":[196,229],"energy":[197,230],"profile":[198],"along":[199],"was":[203],"calculated":[204],"using":[205],"umbrella":[207],"sampling":[208],"approach.":[209],"approximately":[214,240],"5":[215],"kJ/mol":[216],"more":[217],"favorable":[218],"tension.":[224],"height":[226],"barrier":[231],"toward":[235],"kJ/mol,":[242],"which":[243],"reasonable":[246],"agreement":[247],"with":[248],"corresponding":[250],"average":[251],"time,":[253],"estimated":[254],"be":[256,266],"133":[257],"\u00b1":[258],"13":[259],"ns.":[260],"results":[262],"elucidate":[269],"wild-type":[271],"protein":[272],"gating":[273],"mechanism.":[274]},"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-02-28T09:26:25.869077","created_date":"2025-10-10T00:00:00"}
