{"id":"https://openalex.org/W2052299042","doi":"https://doi.org/10.1021/ct100569y","title":"From Coarse Grained to Atomistic: A Serial Multiscale Approach to Membrane Protein Simulations","display_name":"From Coarse Grained to Atomistic: A Serial Multiscale Approach to Membrane Protein Simulations","publication_year":2011,"publication_date":"2011-03-16","ids":{"openalex":"https://openalex.org/W2052299042","doi":"https://doi.org/10.1021/ct100569y","mag":"2052299042","pmid":"https://pubmed.ncbi.nlm.nih.gov/26606363"},"language":"en","primary_location":{"id":"doi:10.1021/ct100569y","doi":"https://doi.org/10.1021/ct100569y","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ct100569y","pdf_url":null,"source":{"id":"https://openalex.org/S189701308","display_name":"Journal of Chemical Theory and Computation","issn_l":"1549-9618","issn":["1549-9618","1549-9626"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"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 Theory and Computation","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W2052299042"],"child_works_count":0,"type":"article","is_traditional":true,"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/A5051819492","display_name":"Phillip J. Stansfeld","orcid":"https://orcid.org/0000-0001-8800-7669","observed_orcids":["https://orcid.org/0000-0001-8800-7669","https://orcid.org/0000-0001-6461-3920"]},"institutions":[{"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"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Phillip J. Stansfeld","raw_affiliation_strings":["Department of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, United Kingdom"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, United Kingdom","institution_ids":["https://openalex.org/I40120149"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5041718990","display_name":"Mark S.P. Sansom","orcid":"https://orcid.org/0000-0001-6360-7959","observed_orcids":["https://orcid.org/0000-0001-6360-7959"]},"institutions":[{"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"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Mark S.P. Sansom","raw_affiliation_strings":["Department of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, United Kingdom"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, United Kingdom","institution_ids":["https://openalex.org/I40120149"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5041718990"],"corresponding_institution_ids":["https://openalex.org/I40120149"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":6.1063,"has_fulltext":false,"cited_by_count":233,"citation_normalized_percentile":{"value":0.97827539,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":95,"max":100},"biblio":{"volume":"7","issue":"4","first_page":"1157","last_page":"1166"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.7792999744415283,"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":0.7792999744415283,"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":0.21459999680519104,"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.0020000000949949026,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"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/membrane-protein-simulation","display_name":"membrane protein simulation","score":0.6359999775886536},{"id":"https://openalex.org/keywords/multiscale-modeling","display_name":"multiscale modeling","score":0.6000000238418579},{"id":"https://openalex.org/keywords/phospholipid-bilayers","display_name":"phospholipid bilayers","score":0.875},{"id":"https://openalex.org/keywords/acid-sensing-ion-channels","display_name":"acid-sensing ion channels","score":0.7889999747276306},{"id":"https://openalex.org/keywords/integral-membrane-proteins","display_name":"integral membrane proteins","score":0.7239999771118164},{"id":"https://openalex.org/keywords/lipid-dynamics","display_name":"lipid dynamics","score":0.9079999923706055},{"id":"https://openalex.org/keywords/protein-lipid-interactions","display_name":"protein-lipid interactions","score":0.875}],"concepts":[{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.695504903793335},{"id":"https://openalex.org/C39944091","wikidata":"https://www.wikidata.org/wiki/Q423279","display_name":"Lipid bilayer","level":3,"score":0.594880223274231},{"id":"https://openalex.org/C41625074","wikidata":"https://www.wikidata.org/wiki/Q176088","display_name":"Membrane","level":2,"score":0.5593010783195496},{"id":"https://openalex.org/C144647389","wikidata":"https://www.wikidata.org/wiki/Q423042","display_name":"Membrane protein","level":3,"score":0.5479410290718079},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.5187628269195557},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4457969665527344},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.4140494465827942},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.3766542673110962},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3434554934501648},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.17144164443016052},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.17029350996017456},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1494697630405426}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1021/ct100569y","doi":"https://doi.org/10.1021/ct100569y","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ct100569y","pdf_url":null,"source":{"id":"https://openalex.org/S189701308","display_name":"Journal of Chemical Theory and Computation","issn_l":"1549-9618","issn":["1549-9618","1549-9626"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"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 Theory and Computation","raw_type":"journal-article"},{"id":"pmid:26606363","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26606363","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,"listed_in":[],"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 theory and computation","raw_type":"Journal Article"},{"id":"pmh:oai:wrap.warwick.ac.uk:126919","doi":null,"is_oa":false,"landing_page_url":"http://wrap.warwick.ac.uk/126919/","pdf_url":null,"source":{"id":"https://openalex.org/S4306400665","display_name":"Warwick Research Archive Portal (University of Warwick)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I39555362","host_organization_name":"University of Warwick","host_organization_lineage":["https://openalex.org/I39555362"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320311904","display_name":"Wellcome Trust","ror":"https://ror.org/029chgv08"},{"id":"https://openalex.org/F4320334629","display_name":"Biotechnology and Biological Sciences Research Council","ror":"https://ror.org/00cwqg982"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":67,"referenced_works":["https://openalex.org/W379390718","https://openalex.org/W1497785975","https://openalex.org/W1963835914","https://openalex.org/W1977467280","https://openalex.org/W1979722406","https://openalex.org/W1986191025","https://openalex.org/W1992092427","https://openalex.org/W2000040213","https://openalex.org/W2009133700","https://openalex.org/W2013711061","https://openalex.org/W2020541592","https://openalex.org/W2026164878","https://openalex.org/W2031163353","https://openalex.org/W2033906450","https://openalex.org/W2035266068","https://openalex.org/W2040806491","https://openalex.org/W2042527516","https://openalex.org/W2047022491","https://openalex.org/W2050245757","https://openalex.org/W2051864856","https://openalex.org/W2055998978","https://openalex.org/W2057972192","https://openalex.org/W2058683642","https://openalex.org/W2059230624","https://openalex.org/W2060097208","https://openalex.org/W2061308254","https://openalex.org/W2062709131","https://openalex.org/W2065148800","https://openalex.org/W2065283382","https://openalex.org/W2067174909","https://openalex.org/W2071788034","https://openalex.org/W2072048192","https://openalex.org/W2073357661","https://openalex.org/W2073765675","https://openalex.org/W2077455410","https://openalex.org/W2077684756","https://openalex.org/W2078619116","https://openalex.org/W2078884620","https://openalex.org/W2079082946","https://openalex.org/W2080985792","https://openalex.org/W2081431207","https://openalex.org/W2081693079","https://openalex.org/W2083895917","https://openalex.org/W2086747619","https://openalex.org/W2094957305","https://openalex.org/W2097775366","https://openalex.org/W2101971471","https://openalex.org/W2104477830","https://openalex.org/W2104534420","https://openalex.org/W2106912222","https://openalex.org/W2111270835","https://openalex.org/W2113994268","https://openalex.org/W2119267663","https://openalex.org/W2128572087","https://openalex.org/W2141066293","https://openalex.org/W2143927412","https://openalex.org/W2145020089","https://openalex.org/W2146211839","https://openalex.org/W2153331570","https://openalex.org/W2156360597","https://openalex.org/W2162314649","https://openalex.org/W2163137692","https://openalex.org/W2165091323","https://openalex.org/W2169210766","https://openalex.org/W2170743627","https://openalex.org/W2171043072","https://openalex.org/W2171268876"],"related_works":["https://openalex.org/W3197665808","https://openalex.org/W3216898819","https://openalex.org/W2394638567","https://openalex.org/W2042527516","https://openalex.org/W3132441762","https://openalex.org/W2060800645","https://openalex.org/W2069199990","https://openalex.org/W2945514040","https://openalex.org/W2019593355","https://openalex.org/W2411292787"],"abstract_inverted_index":{"Coarse-grained":[0],"molecular":[1],"dynamics":[2],"provides":[3,62],"a":[4,18,30,39,44,63,88,99],"means":[5],"for":[6,33,52,65],"simulating":[7],"the":[8,11,77,80],"assembly":[9],"and":[10,25,55,69,110,123],"interactions":[12],"of":[13,21,102,107,117],"membrane":[14,35,40,72,91,105],"protein/lipid":[15,73],"complexes":[16],"at":[17],"reduced":[19],"level":[20],"representation,":[22],"allowing":[23],"longer":[24],"larger":[26],"simulations.":[27,59],"We":[28,75],"describe":[29],"fragment-based":[31],"protocol":[32,78],"converting":[34],"simulation":[36],"systems,":[37],"comprising":[38],"protein":[41,84,118],"embedded":[42],"in":[43,115],"phospholipid":[45],"bilayer,":[46],"from":[47],"coarse-grained":[48],"to":[49],"atomistic":[50,58],"resolution,":[51],"further":[53,96],"refinement":[54],"analysis":[56],"via":[57],"Overall,":[60],"this":[61],"method":[64,94],"generating":[66],"an":[67],"accurate":[68],"well":[70],"equilibrated":[71],"complex.":[74],"exemplify":[76],"using":[79,98],"acid-sensing/amiloride-sensitive":[81],"ion":[82],"channel":[83,86],"(ASIC)":[85],"protein,":[87],"trimeric":[89],"integral":[90],"protein.":[92],"The":[93],"is":[95],"evaluated":[97],"test":[100],"set":[101],"10":[103],"different":[104],"proteins":[106],"differing":[108],"size":[109],"complexity.":[111],"Simulations":[112],"are":[113],"assessed":[114],"terms":[116],"conformational":[119],"drift,":[120],"lipid/protein":[121],"interactions,":[122],"lipid":[124],"dynamics.":[125]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":8},{"year":2023,"cited_by_count":10},{"year":2022,"cited_by_count":14},{"year":2021,"cited_by_count":12},{"year":2020,"cited_by_count":10},{"year":2019,"cited_by_count":21},{"year":2018,"cited_by_count":20},{"year":2017,"cited_by_count":18},{"year":2016,"cited_by_count":33},{"year":2015,"cited_by_count":21},{"year":2014,"cited_by_count":20},{"year":2013,"cited_by_count":25},{"year":2012,"cited_by_count":6}],"updated_date":"2026-11-12T12:28:57.059296","created_date":"2016-06-24T00:00:00"}
