{"id":"https://openalex.org/W2052456255","doi":"https://doi.org/10.1371/journal.pcbi.1003156","title":"Insertion of the Ca2+-Independent Phospholipase A2 into a Phospholipid Bilayer via Coarse-Grained and Atomistic Molecular Dynamics Simulations","display_name":"Insertion of the Ca2+-Independent Phospholipase A2 into a Phospholipid Bilayer via Coarse-Grained and Atomistic Molecular Dynamics Simulations","publication_year":2013,"publication_date":"2013-07-25","ids":{"openalex":"https://openalex.org/W2052456255","doi":"https://doi.org/10.1371/journal.pcbi.1003156","mag":"2052456255","pmid":"https://pubmed.ncbi.nlm.nih.gov/23935474"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1003156","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1003156","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1003156&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1003156&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5054852528","display_name":"Denis Bucher","orcid":"https://orcid.org/0000-0002-6206-9084"},"institutions":[{"id":"https://openalex.org/I36258959","display_name":"University of California, San Diego","ror":"https://ror.org/0168r3w48","country_code":"US","type":"education","lineage":["https://openalex.org/I36258959"]},{"id":"https://openalex.org/I4210145836","display_name":"Center for Theoretical Biological Physics","ror":"https://ror.org/04hfg7v94","country_code":"US","type":"facility","lineage":["https://openalex.org/I12912129","https://openalex.org/I181547552","https://openalex.org/I2801539370","https://openalex.org/I4210145836","https://openalex.org/I44461941","https://openalex.org/I74775410"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Denis Bucher","raw_affiliation_strings":["Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California, United States of America. bucher.denis@gmail.com","Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California, United States of America","Center for Theoretical Biological Physics and National Biomedical Computation Resource, University of California, San Diego, La Jolla, California, United States of America"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California, United States of America. bucher.denis@gmail.com","institution_ids":["https://openalex.org/I36258959"]},{"raw_affiliation_string":"Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I36258959"]},{"raw_affiliation_string":"Center for Theoretical Biological Physics and National Biomedical Computation Resource, University of California, San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I4210145836","https://openalex.org/I36258959"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070566535","display_name":"Yuan\u2010Hao Hsu","orcid":"https://orcid.org/0000-0002-3423-2892"},"institutions":[{"id":"https://openalex.org/I169090423","display_name":"Tunghai University","ror":"https://ror.org/00zhvdn11","country_code":"TW","type":"education","lineage":["https://openalex.org/I169090423"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Yuan-Hao Hsu","raw_affiliation_strings":["Department of Chemistry, Tunghai University, Taichung, Taiwan"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Tunghai University, Taichung, Taiwan","institution_ids":["https://openalex.org/I169090423"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004957941","display_name":"Varnavas D. Mouchlis","orcid":"https://orcid.org/0000-0002-4235-1867"},"institutions":[{"id":"https://openalex.org/I36258959","display_name":"University of California, San Diego","ror":"https://ror.org/0168r3w48","country_code":"US","type":"education","lineage":["https://openalex.org/I36258959"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Varnavas D. Mouchlis","raw_affiliation_strings":["Department of Pharmacology, University of California, San Diego, La Jolla, California, United States of America"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, University of California, San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I36258959"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040976154","display_name":"Edward A. Dennis","orcid":"https://orcid.org/0000-0003-3738-3140"},"institutions":[{"id":"https://openalex.org/I36258959","display_name":"University of California, San Diego","ror":"https://ror.org/0168r3w48","country_code":"US","type":"education","lineage":["https://openalex.org/I36258959"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Edward A. Dennis","raw_affiliation_strings":["Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California, United States of America","Department of Pharmacology, University of California, San Diego, La Jolla, California, United States of America"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I36258959"]},{"raw_affiliation_string":"Department of Pharmacology, University of California, San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I36258959"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5015837947","display_name":"J. Andrew McCammon","orcid":"https://orcid.org/0000-0003-3065-1456"},"institutions":[{"id":"https://openalex.org/I1344073410","display_name":"Howard Hughes Medical Institute","ror":"https://ror.org/006w34k90","country_code":"US","type":"facility","lineage":["https://openalex.org/I1344073410"]},{"id":"https://openalex.org/I36258959","display_name":"University of California, San Diego","ror":"https://ror.org/0168r3w48","country_code":"US","type":"education","lineage":["https://openalex.org/I36258959"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"J. Andrew McCammon","raw_affiliation_strings":["Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California, United States of America","Department of Pharmacology, University of California, San Diego, La Jolla, California, United States of America","Howard Hughes Medical Institute, University of California, San Diego, La Jolla, California, United States of America"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I36258959"]},{"raw_affiliation_string":"Department of Pharmacology, University of California, San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I36258959"]},{"raw_affiliation_string":"Howard Hughes Medical Institute, University of California, San Diego, La Jolla, California, United States of America","institution_ids":["https://openalex.org/I1344073410","https://openalex.org/I36258959"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5040976154","https://openalex.org/A5054852528"],"corresponding_institution_ids":["https://openalex.org/I36258959","https://openalex.org/I4210145836"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":2.6951,"has_fulltext":true,"cited_by_count":37,"citation_normalized_percentile":{"value":0.90316965,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"9","issue":"7","first_page":"e1003156","last_page":"e1003156"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9997000098228455,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9997000098228455,"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/T10407","display_name":"Lipid Membrane Structure and Behavior","score":0.9997000098228455,"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/T11162","display_name":"Enzyme Structure and Function","score":0.9926000237464905,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.7308205366134644},{"id":"https://openalex.org/keywords/lipid-bilayer","display_name":"Lipid bilayer","score":0.6501291394233704},{"id":"https://openalex.org/keywords/phospholipid","display_name":"Phospholipid","score":0.6379489302635193},{"id":"https://openalex.org/keywords/membrane","display_name":"Membrane","score":0.6255308389663696},{"id":"https://openalex.org/keywords/bilayer","display_name":"Bilayer","score":0.5990946292877197},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.5316396951675415},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.45802032947540283},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.25556260347366333},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.22864174842834473},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.1621999442577362}],"concepts":[{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7308205366134644},{"id":"https://openalex.org/C39944091","wikidata":"https://www.wikidata.org/wiki/Q423279","display_name":"Lipid bilayer","level":3,"score":0.6501291394233704},{"id":"https://openalex.org/C2778918659","wikidata":"https://www.wikidata.org/wiki/Q186915","display_name":"Phospholipid","level":3,"score":0.6379489302635193},{"id":"https://openalex.org/C41625074","wikidata":"https://www.wikidata.org/wiki/Q176088","display_name":"Membrane","level":2,"score":0.6255308389663696},{"id":"https://openalex.org/C192157962","wikidata":"https://www.wikidata.org/wiki/Q4087243","display_name":"Bilayer","level":3,"score":0.5990946292877197},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.5316396951675415},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.45802032947540283},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.25556260347366333},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.22864174842834473},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.1621999442577362}],"mesh":[{"descriptor_ui":"D002118","descriptor_name":"Calcium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002118","descriptor_name":"Calcium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002118","descriptor_name":"Calcium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008051","descriptor_name":"Lipid Bilayers","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008051","descriptor_name":"Lipid Bilayers","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008051","descriptor_name":"Lipid Bilayers","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D010743","descriptor_name":"Phospholipids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010743","descriptor_name":"Phospholipids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010743","descriptor_name":"Phospholipids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054467","descriptor_name":"Phospholipases A2","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054467","descriptor_name":"Phospholipases A2","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054467","descriptor_name":"Phospholipases A2","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"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":7,"locations":[{"id":"doi:10.1371/journal.pcbi.1003156","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1003156","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1003156&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},{"id":"pmid:23935474","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23935474","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":"PLoS computational biology","raw_type":null},{"id":"pmh:oai:RePEc:plo:pcbi00:1003156","is_oa":false,"landing_page_url":"https://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1003156","pdf_url":null,"source":{"id":"https://openalex.org/S4306401271","display_name":"RePEc: Research Papers in Economics","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I77793887","host_organization_name":"Federal Reserve Bank of St. Louis","host_organization_lineage":["https://openalex.org/I77793887"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"},{"id":"pmh:oai:doaj.org/article:bae043e4bf034dd69d3f7bd5989398a8","is_oa":true,"landing_page_url":"https://doaj.org/article/bae043e4bf034dd69d3f7bd5989398a8","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Computational Biology, Vol 9, Iss 7, p e1003156 (2013)","raw_type":"article"},{"id":"pmh:oai:escholarship.org:ark:/13030/qt0k02q8fw","is_oa":true,"landing_page_url":"https://escholarship.org/uc/item/0k02q8fw","pdf_url":null,"source":{"id":"https://openalex.org/S4306400115","display_name":"eScholarship (California Digital Library)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I2801248553","host_organization_name":"California Digital Library","host_organization_lineage":["https://openalex.org/I2801248553"],"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":"PLOS Computational Biology, vol 9, iss 7","raw_type":"article"},{"id":"pmh:oai:europepmc.org:2730807","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3723492","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"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":"Text"},{"id":"pmh:oai:figshare.com:article/755741","is_oa":true,"landing_page_url":"https://figshare.com/articles/dataset/Insertion_of_the_Ca_2_Independent_Phospholipase_A_2_into_a_Phospholipid_Bilayer_via_Coarse_Grained_and_Atomistic_Molecular_Dynamics_Simulations/755741","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"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":"","raw_type":"Dataset"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1003156","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1003156","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1003156&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.8299999833106995,"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6"}],"awards":[{"id":"https://openalex.org/G1326649892","display_name":null,"funder_award_id":"GM20501","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320306082","display_name":"Howard Hughes Medical Institute","ror":"https://ror.org/006w34k90"},{"id":"https://openalex.org/F4320316545","display_name":"San Diego Supercomputer Center","ror":"https://ror.org/04mg3nk07"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2052456255.pdf","grobid_xml":"https://content.openalex.org/works/W2052456255.grobid-xml"},"referenced_works_count":52,"referenced_works":["https://openalex.org/W2619506","https://openalex.org/W1778803563","https://openalex.org/W1966078827","https://openalex.org/W1967170457","https://openalex.org/W1968823199","https://openalex.org/W1971456069","https://openalex.org/W1996546582","https://openalex.org/W1998093640","https://openalex.org/W1998968064","https://openalex.org/W2004105109","https://openalex.org/W2006693036","https://openalex.org/W2009133700","https://openalex.org/W2011661565","https://openalex.org/W2012897199","https://openalex.org/W2013160313","https://openalex.org/W2014979284","https://openalex.org/W2017001642","https://openalex.org/W2018840610","https://openalex.org/W2027294838","https://openalex.org/W2029667189","https://openalex.org/W2033529815","https://openalex.org/W2035266068","https://openalex.org/W2035532299","https://openalex.org/W2039639105","https://openalex.org/W2051864856","https://openalex.org/W2053606072","https://openalex.org/W2054200404","https://openalex.org/W2055111899","https://openalex.org/W2057477511","https://openalex.org/W2058541568","https://openalex.org/W2060872117","https://openalex.org/W2062940933","https://openalex.org/W2066414494","https://openalex.org/W2066449068","https://openalex.org/W2071788034","https://openalex.org/W2077111041","https://openalex.org/W2077755739","https://openalex.org/W2085233435","https://openalex.org/W2100251789","https://openalex.org/W2106140689","https://openalex.org/W2106777560","https://openalex.org/W2116484076","https://openalex.org/W2119267663","https://openalex.org/W2120233925","https://openalex.org/W2128303012","https://openalex.org/W2129153475","https://openalex.org/W2139027761","https://openalex.org/W2141950459","https://openalex.org/W2142532813","https://openalex.org/W2142694980","https://openalex.org/W2150981663","https://openalex.org/W2320750442"],"related_works":["https://openalex.org/W2389992822","https://openalex.org/W2061481432","https://openalex.org/W2100090167","https://openalex.org/W2031051143","https://openalex.org/W4367601614","https://openalex.org/W2718515487","https://openalex.org/W2072230736","https://openalex.org/W1963901611","https://openalex.org/W2320621004","https://openalex.org/W2059795428"],"abstract_inverted_index":{"Group":[0],"VI":[1],"Ca\u00b2\u207a-independent":[2],"phospholipase":[3],"A\u2082":[4],"(iPLA\u2082)":[5],"is":[6,11,29,129,154],"a":[7,65,79,168],"water-soluble":[8],"enzyme":[9],"that":[10,126,143,153],"active":[12],"when":[13],"associated":[14],"with":[15,46,64,114,118],"phospholipid":[16,66],"membranes.":[17],"Despite":[18],"its":[19,36],"clear":[20],"pharmaceutical":[21],"relevance,":[22],"no":[23],"X-ray":[24],"or":[25,35],"NMR":[26],"structural":[27,58,169],"information":[28],"currently":[30],"available":[31],"for":[32,82,92,131,171,191],"the":[33,71,103,132,137,157,162,173,182,189,192,196,205],"iPLA\u2082":[34,61,135,164,208],"membrane":[37,72,104,138],"complex.":[38,105],"In":[39,159,180],"this":[40],"paper,":[41],"we":[42],"combine":[43],"homology":[44],"modeling":[45,133],"coarse-grained":[47],"(CG)":[48],"and":[49,117,178,201,209],"all-atom":[50],"(AA)":[51],"molecular":[52],"dynamics":[53],"(MD)":[54],"simulations":[55,69,88],"to":[56,77,101,111],"build":[57],"models":[59,141,165],"of":[60,70,134,175,195,198,207],"in":[62],"association":[63],"bilayer.":[67],"CG-MD":[68],"insertion":[73],"process":[74],"were":[75,89],"employed":[76],"provide":[78,167,188],"starting":[80,95],"point":[81],"an":[83,144,150],"atomistic":[84],"description.":[85],"Six":[86],"AA-MD":[87],"then":[90],"conducted":[91],"60":[93],"ns,":[94],"from":[96],"different":[97],"initial":[98],"CG":[99],"structures,":[100],"refine":[102],"The":[106,140],"resulting":[107],"structures":[108],"are":[109],"shown":[110],"be":[112],"consistent":[113],"each":[115],"other":[116],"deuterium":[119],"exchange":[120],"mass":[121],"spectrometry":[122],"(DXMS)":[123],"experiments,":[124],"suggesting":[125],"our":[127],"approach":[128,184],"suitable":[130],"at":[136],"surface.":[139],"show":[142],"anchoring":[145],"region":[146],"(residues":[147],"710-724)":[148],"forms":[149],"amphipathic":[151],"helix":[152],"stabilized":[155],"by":[156],"membrane.":[158],"future":[160,193],"studies,":[161],"proposed":[163],"should":[166,187],"basis":[170],"understanding":[172],"mechanisms":[174],"lipid":[176,199],"extraction":[177],"drug-inhibition.":[179],"addition,":[181],"dual-resolution":[183],"discussed":[185],"here":[186],"means":[190],"exploration":[194],"impact":[197],"diversity":[200],"sequence":[202],"mutations":[203],"on":[204],"activity":[206],"related":[210],"enzymes.":[211]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":8},{"year":2015,"cited_by_count":5},{"year":2014,"cited_by_count":5}],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2025-10-10T00:00:00"}