{"id":"https://openalex.org/W3037329034","doi":"https://doi.org/10.1021/acs.jcim.0c00329","title":"In Silico Study of Membrane Lipid Composition Regulating Conformation and Hydration of Influenza Virus B M2 Channel","display_name":"In Silico Study of Membrane Lipid Composition Regulating Conformation and Hydration of Influenza Virus B M2 Channel","publication_year":2020,"publication_date":"2020-06-26","ids":{"openalex":"https://openalex.org/W3037329034","doi":"https://doi.org/10.1021/acs.jcim.0c00329","mag":"3037329034","pmid":"https://pubmed.ncbi.nlm.nih.gov/32589410"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.0c00329","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c00329","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":null,"license_id":null,"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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100333672","display_name":"Yue Zhang","orcid":"https://orcid.org/0000-0001-9609-7879"},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yue Zhang","raw_affiliation_strings":["Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, College of Chemistry, Jilin University, Changchun 130023, People\u2019s Republic of China","Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, College of Chemistry, Jilin University, Changchun 130023, People's Republic of China"],"affiliations":[{"raw_affiliation_string":"Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, College of Chemistry, Jilin University, Changchun 130023, People\u2019s Republic of China","institution_ids":["https://openalex.org/I194450716"]},{"raw_affiliation_string":"Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, College of Chemistry, Jilin University, Changchun 130023, People's Republic of China","institution_ids":["https://openalex.org/I194450716"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100718689","display_name":"Hong\u2010Xing Zhang","orcid":"https://orcid.org/0000-0001-5334-733X"},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hong-Xing Zhang","raw_affiliation_strings":["Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, College of Chemistry, Jilin University, Changchun 130023, People\u2019s Republic of China","Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, College of Chemistry, Jilin University, Changchun 130023, People's Republic of China"],"affiliations":[{"raw_affiliation_string":"Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, College of Chemistry, Jilin University, Changchun 130023, People\u2019s Republic of China","institution_ids":["https://openalex.org/I194450716"]},{"raw_affiliation_string":"Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, College of Chemistry, Jilin University, Changchun 130023, People's Republic of China","institution_ids":["https://openalex.org/I194450716"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5009654446","display_name":"Qing\u2010Chuan Zheng","orcid":"https://orcid.org/0000-0003-2978-768X"},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Qing-Chuan Zheng","raw_affiliation_strings":["Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, Jilin University, Changchun 130023, People\u2019s Republic of China","Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, College of Chemistry, Jilin University, Changchun 130023, People\u2019s Republic of China","Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, Jilin University, Changchun 130023, People's Republic of China","Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, College of Chemistry, Jilin University, Changchun 130023, People's Republic of China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, Jilin University, Changchun 130023, People\u2019s Republic of China","institution_ids":["https://openalex.org/I194450716"]},{"raw_affiliation_string":"Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, College of Chemistry, Jilin University, Changchun 130023, People\u2019s Republic of China","institution_ids":["https://openalex.org/I194450716"]},{"raw_affiliation_string":"Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, Jilin University, Changchun 130023, People's Republic of China","institution_ids":["https://openalex.org/I194450716"]},{"raw_affiliation_string":"Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, College of Chemistry, Jilin University, Changchun 130023, People's Republic of China","institution_ids":["https://openalex.org/I194450716"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5009654446"],"corresponding_institution_ids":["https://openalex.org/I194450716"],"apc_list":null,"apc_paid":null,"fwci":0.8343,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.71308826,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"60","issue":"7","first_page":"3603","last_page":"3615"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10407","display_name":"Lipid Membrane Structure and Behavior","score":1.0,"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/T10407","display_name":"Lipid Membrane Structure and Behavior","score":1.0,"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/T10167","display_name":"Influenza Virus Research Studies","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.998199999332428,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/membrane","display_name":"Membrane","score":0.6917178630828857},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6142541170120239},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.6004114151000977},{"id":"https://openalex.org/keywords/transmembrane-protein","display_name":"Transmembrane protein","score":0.4964902997016907},{"id":"https://openalex.org/keywords/lipid-bilayer","display_name":"Lipid bilayer","score":0.4630145728588104},{"id":"https://openalex.org/keywords/ion-channel","display_name":"Ion channel","score":0.43680572509765625},{"id":"https://openalex.org/keywords/hydrogen-bond","display_name":"Hydrogen bond","score":0.4345264434814453},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.418386846780777},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2847212553024292},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1696563959121704},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.15785712003707886},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.08056008815765381},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.06726175546646118}],"concepts":[{"id":"https://openalex.org/C41625074","wikidata":"https://www.wikidata.org/wiki/Q176088","display_name":"Membrane","level":2,"score":0.6917178630828857},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6142541170120239},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.6004114151000977},{"id":"https://openalex.org/C24530287","wikidata":"https://www.wikidata.org/wiki/Q424204","display_name":"Transmembrane protein","level":3,"score":0.4964902997016907},{"id":"https://openalex.org/C39944091","wikidata":"https://www.wikidata.org/wiki/Q423279","display_name":"Lipid bilayer","level":3,"score":0.4630145728588104},{"id":"https://openalex.org/C50254741","wikidata":"https://www.wikidata.org/wiki/Q62536","display_name":"Ion channel","level":3,"score":0.43680572509765625},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.4345264434814453},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.418386846780777},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2847212553024292},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1696563959121704},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.15785712003707886},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.08056008815765381},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.06726175546646118},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008563","descriptor_name":"Membrane Lipids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008563","descriptor_name":"Membrane Lipids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008563","descriptor_name":"Membrane Lipids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009981","descriptor_name":"Influenza B virus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009981","descriptor_name":"Influenza B virus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009981","descriptor_name":"Influenza B virus","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D014763","descriptor_name":"Viral Matrix Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014763","descriptor_name":"Viral Matrix Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014763","descriptor_name":"Viral Matrix Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.0c00329","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c00329","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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:32589410","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/32589410","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}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.6499999761581421,"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6"}],"awards":[{"id":"https://openalex.org/G4793465868","display_name":null,"funder_award_id":"21773084","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321106","display_name":"Ministry of Education of the People's Republic of China","ror":"https://ror.org/01mv9t934"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":89,"referenced_works":["https://openalex.org/W1775189307","https://openalex.org/W1877222897","https://openalex.org/W1970363807","https://openalex.org/W1975794822","https://openalex.org/W1976499671","https://openalex.org/W1976863495","https://openalex.org/W1982555875","https://openalex.org/W1982909744","https://openalex.org/W1988703402","https://openalex.org/W1992109285","https://openalex.org/W2002327895","https://openalex.org/W2004512469","https://openalex.org/W2009397538","https://openalex.org/W2012837623","https://openalex.org/W2013767643","https://openalex.org/W2015940279","https://openalex.org/W2021520922","https://openalex.org/W2029381257","https://openalex.org/W2034453538","https://openalex.org/W2037008228","https://openalex.org/W2042574278","https://openalex.org/W2046508842","https://openalex.org/W2053010923","https://openalex.org/W2056136433","https://openalex.org/W2057521072","https://openalex.org/W2058292477","https://openalex.org/W2067174909","https://openalex.org/W2069109961","https://openalex.org/W2071135420","https://openalex.org/W2071475257","https://openalex.org/W2072250256","https://openalex.org/W2079298235","https://openalex.org/W2080814768","https://openalex.org/W2084242773","https://openalex.org/W2084355438","https://openalex.org/W2085163163","https://openalex.org/W2086519089","https://openalex.org/W2092150552","https://openalex.org/W2103945336","https://openalex.org/W2115183962","https://openalex.org/W2116676509","https://openalex.org/W2116807248","https://openalex.org/W2117458899","https://openalex.org/W2118279787","https://openalex.org/W2119109208","https://openalex.org/W2120276871","https://openalex.org/W2121642161","https://openalex.org/W2121682672","https://openalex.org/W2124836495","https://openalex.org/W2125872855","https://openalex.org/W2134959285","https://openalex.org/W2137825366","https://openalex.org/W2153504150","https://openalex.org/W2155734592","https://openalex.org/W2157957881","https://openalex.org/W2164405854","https://openalex.org/W2168240189","https://openalex.org/W2170259317","https://openalex.org/W2219910005","https://openalex.org/W2261586976","https://openalex.org/W2312573666","https://openalex.org/W2323104785","https://openalex.org/W2341538890","https://openalex.org/W2401035952","https://openalex.org/W2404280981","https://openalex.org/W2417703297","https://openalex.org/W2468070683","https://openalex.org/W2487332321","https://openalex.org/W2523133086","https://openalex.org/W2529919426","https://openalex.org/W2534983528","https://openalex.org/W2559975070","https://openalex.org/W2604838837","https://openalex.org/W2756130782","https://openalex.org/W2770725028","https://openalex.org/W2785936723","https://openalex.org/W2790705492","https://openalex.org/W2791052006","https://openalex.org/W2883184699","https://openalex.org/W2889116787","https://openalex.org/W2896812555","https://openalex.org/W2909725536","https://openalex.org/W2919042205","https://openalex.org/W2924803081","https://openalex.org/W2944606024","https://openalex.org/W2976291084","https://openalex.org/W3003358282","https://openalex.org/W3100271906","https://openalex.org/W4301859218"],"related_works":["https://openalex.org/W2912862995","https://openalex.org/W3129816939","https://openalex.org/W2985427592","https://openalex.org/W2101501829","https://openalex.org/W2400569965","https://openalex.org/W2060263731","https://openalex.org/W2003194288","https://openalex.org/W2010688654","https://openalex.org/W3103439995","https://openalex.org/W2151889417"],"abstract_inverted_index":{"The":[0,47],"proton":[1,10,102],"conduction":[2,103],"of":[3,40,49,60,120,124,137,145,155],"transmembrane":[4],"influenza":[5],"virus":[6,157],"B":[7,158],"M2":[8],"(BM2)":[9],"channel":[11,42,95],"is":[12,24,43,81],"possibly":[13],"mediated":[14],"by":[15,105],"the":[16,20,36,58,85,92,101,106,135,152],"membrane":[17,32,70,74,79,110,138],"environment,":[18],"but":[19],"detailed":[21],"molecular":[22],"mechanism":[23,136],"challenging":[25],"to":[26,83,90,151],"determine.":[27],"In":[28],"this":[29],"work,":[30],"how":[31],"lipid":[33,63,139],"composition":[34,140],"regulates":[35],"conformation":[37,121,142],"and":[38,67,72,97,122,143,147],"hydration":[39,123,144],"BM2":[41,146],"elucidated":[44],"in":[45],"silico.":[46],"appearance":[48],"several":[50],"important":[51,117,149],"hydrogen-bond":[52],"networks":[53],"has":[54],"been":[55],"discovered,":[56],"as":[57,115],"addition":[59],"negatively":[61],"charged":[62],"palmitoyloleoyl":[64],"phosphatidylglycerol":[65],"(POPG)":[66],"cholesterol":[68],"reduces":[69],"fluidity":[71],"augments":[73],"rigidity.":[75],"A":[76],"more":[77,88],"rigid":[78],"environment":[80,111],"beneficial":[82],"expand":[84],"channel,":[86,93],"allow":[87],"water":[89],"enter":[91],"promote":[94],"hydration,":[96],"then":[98],"even":[99],"affect":[100],"facilitated":[104],"hydrated":[107],"channel.":[108],"Thus,":[109],"could":[112],"be":[113],"identified":[114],"an":[116],"influence":[118],"factor":[119],"BM2.":[125],"These":[126],"findings":[127],"can":[128],"provide":[129],"a":[130],"unique":[131],"perspective":[132],"for":[133],"understanding":[134],"regulating":[141],"have":[148],"significance":[150],"further":[153],"study":[154],"anti-influenza":[156],"drugs.":[159]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":8},{"year":2021,"cited_by_count":1}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}