{"id":"https://openalex.org/W2139229181","doi":"https://doi.org/10.1002/jcc.23610","title":"Systematic implicit solvent coarse graining of dimyristoylphosphatidylcholine lipids","display_name":"Systematic implicit solvent coarse graining of dimyristoylphosphatidylcholine lipids","publication_year":2014,"publication_date":"2014-04-29","ids":{"openalex":"https://openalex.org/W2139229181","doi":"https://doi.org/10.1002/jcc.23610","mag":"2139229181","pmid":"https://pubmed.ncbi.nlm.nih.gov/24777775"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.23610","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.23610","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","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/A5049275571","display_name":"Alexander Mirzoev","orcid":"https://orcid.org/0000-0001-7876-7808"},"institutions":[{"id":"https://openalex.org/I161593684","display_name":"Stockholm University","ror":"https://ror.org/05f0yaq80","country_code":"SE","type":"education","lineage":["https://openalex.org/I161593684"]}],"countries":["SE"],"is_corresponding":true,"raw_author_name":"Alexander Mirzoev","raw_affiliation_strings":["Division of Physical Chemistry, Department of Materials and Environmental Chemistry Stockholm University Stockholm SE\u201010691 Sweden"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Division of Physical Chemistry, Department of Materials and Environmental Chemistry Stockholm University Stockholm SE\u201010691 Sweden","institution_ids":["https://openalex.org/I161593684"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5037612544","display_name":"Alexander P. Lyubartsev","orcid":"https://orcid.org/0000-0002-9390-5719"},"institutions":[{"id":"https://openalex.org/I161593684","display_name":"Stockholm University","ror":"https://ror.org/05f0yaq80","country_code":"SE","type":"education","lineage":["https://openalex.org/I161593684"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Alexander P. Lyubartsev","raw_affiliation_strings":["Division of Physical Chemistry, Department of Materials and Environmental Chemistry Stockholm University Stockholm SE\u201010691 Sweden"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Division of Physical Chemistry, Department of Materials and Environmental Chemistry Stockholm University Stockholm SE\u201010691 Sweden","institution_ids":["https://openalex.org/I161593684"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5049275571"],"corresponding_institution_ids":["https://openalex.org/I161593684"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":1.1381,"has_fulltext":false,"cited_by_count":23,"citation_normalized_percentile":{"value":0.77923651,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"35","issue":"16","first_page":"1208","last_page":"1218"},"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/T10721","display_name":"Surfactants and Colloidal Systems","score":0.9983999729156494,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9905999898910522,"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/bilayer","display_name":"Bilayer","score":0.7581552267074585},{"id":"https://openalex.org/keywords/lipid-bilayer","display_name":"Lipid bilayer","score":0.6605640053749084},{"id":"https://openalex.org/keywords/lipid-bilayer-mechanics","display_name":"Lipid bilayer mechanics","score":0.6601130962371826},{"id":"https://openalex.org/keywords/granularity","display_name":"Granularity","score":0.6533638834953308},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6143560409545898},{"id":"https://openalex.org/keywords/model-lipid-bilayer","display_name":"Model lipid bilayer","score":0.5998514294624329},{"id":"https://openalex.org/keywords/lipid-bilayer-phase-behavior","display_name":"Lipid bilayer phase behavior","score":0.549456000328064},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5483010411262512},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.5016450881958008},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.4227762222290039},{"id":"https://openalex.org/keywords/vesicle","display_name":"Vesicle","score":0.4155268669128418},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.34266626834869385},{"id":"https://openalex.org/keywords/membrane","display_name":"Membrane","score":0.23810076713562012},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.18822619318962097},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.10664385557174683}],"concepts":[{"id":"https://openalex.org/C192157962","wikidata":"https://www.wikidata.org/wiki/Q4087243","display_name":"Bilayer","level":3,"score":0.7581552267074585},{"id":"https://openalex.org/C39944091","wikidata":"https://www.wikidata.org/wiki/Q423279","display_name":"Lipid bilayer","level":3,"score":0.6605640053749084},{"id":"https://openalex.org/C85145957","wikidata":"https://www.wikidata.org/wiki/Q12246850","display_name":"Lipid bilayer mechanics","level":5,"score":0.6601130962371826},{"id":"https://openalex.org/C177774035","wikidata":"https://www.wikidata.org/wiki/Q1246948","display_name":"Granularity","level":2,"score":0.6533638834953308},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6143560409545898},{"id":"https://openalex.org/C63491327","wikidata":"https://www.wikidata.org/wiki/Q6888332","display_name":"Model lipid bilayer","level":5,"score":0.5998514294624329},{"id":"https://openalex.org/C76564549","wikidata":"https://www.wikidata.org/wiki/Q17154515","display_name":"Lipid bilayer phase behavior","level":4,"score":0.549456000328064},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5483010411262512},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5016450881958008},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.4227762222290039},{"id":"https://openalex.org/C130316041","wikidata":"https://www.wikidata.org/wiki/Q189206","display_name":"Vesicle","level":3,"score":0.4155268669128418},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.34266626834869385},{"id":"https://openalex.org/C41625074","wikidata":"https://www.wikidata.org/wiki/Q176088","display_name":"Membrane","level":2,"score":0.23810076713562012},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.18822619318962097},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.10664385557174683},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D004134","descriptor_name":"Dimyristoylphosphatidylcholine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004134","descriptor_name":"Dimyristoylphosphatidylcholine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004134","descriptor_name":"Dimyristoylphosphatidylcholine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008051","descriptor_name":"Lipid Bilayers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008051","descriptor_name":"Lipid Bilayers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008051","descriptor_name":"Lipid Bilayers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1002/jcc.23610","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.23610","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},{"id":"pmid:24777775","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24777775","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 computational chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation","score":0.8100000023841858}],"awards":[],"funders":[{"id":"https://openalex.org/F4320331617","display_name":"National Supercomputing Centre Singapore","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":58,"referenced_works":["https://openalex.org/W1966078827","https://openalex.org/W1969455492","https://openalex.org/W1972305947","https://openalex.org/W1972320235","https://openalex.org/W1976287631","https://openalex.org/W1976453579","https://openalex.org/W1976499671","https://openalex.org/W1977486075","https://openalex.org/W1978240211","https://openalex.org/W1978498560","https://openalex.org/W1978656738","https://openalex.org/W1983444506","https://openalex.org/W1991794210","https://openalex.org/W1997010671","https://openalex.org/W2000539291","https://openalex.org/W2007750417","https://openalex.org/W2010889152","https://openalex.org/W2013164116","https://openalex.org/W2015959591","https://openalex.org/W2025625972","https://openalex.org/W2034399867","https://openalex.org/W2036479410","https://openalex.org/W2036600309","https://openalex.org/W2038032348","https://openalex.org/W2039300290","https://openalex.org/W2039569314","https://openalex.org/W2041551173","https://openalex.org/W2041638382","https://openalex.org/W2041902442","https://openalex.org/W2042527516","https://openalex.org/W2045187662","https://openalex.org/W2045430232","https://openalex.org/W2049286183","https://openalex.org/W2050610289","https://openalex.org/W2051530551","https://openalex.org/W2053058099","https://openalex.org/W2054968247","https://openalex.org/W2055122725","https://openalex.org/W2056914478","https://openalex.org/W2061308254","https://openalex.org/W2061417691","https://openalex.org/W2078250231","https://openalex.org/W2078937351","https://openalex.org/W2081510197","https://openalex.org/W2086535538","https://openalex.org/W2095530874","https://openalex.org/W2107636991","https://openalex.org/W2108744283","https://openalex.org/W2116493166","https://openalex.org/W2119267663","https://openalex.org/W2128572087","https://openalex.org/W2130177747","https://openalex.org/W2153003531","https://openalex.org/W2159565091","https://openalex.org/W2162450894","https://openalex.org/W3103121978","https://openalex.org/W3103670527","https://openalex.org/W4234347480"],"related_works":["https://openalex.org/W2161775496","https://openalex.org/W3048274471","https://openalex.org/W1983202382","https://openalex.org/W3044046231","https://openalex.org/W4206087209","https://openalex.org/W2072230736","https://openalex.org/W2581489567","https://openalex.org/W2039988221","https://openalex.org/W1968382956","https://openalex.org/W2047668074"],"abstract_inverted_index":{"We":[0],"have":[1],"used":[2],"systematic":[3],"structure-based":[4],"coarse":[5],"graining":[6],"to":[7,102,208,227],"derive":[8],"effective":[9,68,94],"site-site":[10,35],"potentials":[11,27,69,95,118,143,166,176],"for":[12,29],"a":[13,63,178],"10-site":[14],"coarse-grained":[15,31,165],"dimyristoylphosphatidylcholine":[16],"(DMPC)":[17],"lipid":[18,87,99,122,187,200],"model":[19,32,212],"and":[20,40,105,135,203,232],"investigated":[21],"their":[22,169],"state":[23,170],"point":[24,171],"dependence.":[25],"The":[26,128],"provide":[28,124,177],"the":[30,33,67,71,83,86,109,132,140,174,190,198,211],"same":[34],"radial":[36],"distribution":[37],"functions,":[38],"bond":[39],"angle":[41],"distributions":[42],"as":[43,192,194],"those":[44],"computed":[45,96],"in":[46,82,168,217],"atomistic":[47,146],"simulations":[48,147],"carried":[49],"out":[50],"at":[51,73,97,120,148],"four":[52],"different":[53,186],"lipid-water":[54],"molar":[55,151],"ratios.":[56],"It":[57],"was":[58,137],"shown":[59],"that":[60],"there":[61],"is":[62,79],"non-negligible":[64],"dependence":[65],"of":[66,85,108,142,157,163,185,197,219,221],"on":[70],"concentration":[72,100],"which":[74,78],"they":[75],"were":[76],"generated,":[77],"also":[80],"manifested":[81],"properties":[84],"bilayers":[88],"simulated":[89],"using":[90,139],"these":[91],"potentials.":[92],"Thus,":[93],"low":[98],"favor":[101],"more":[103,125],"condensed":[104],"ordered":[106,228],"structure":[107,181],"bilayer":[110,180,191,209,229],"with":[111,131,182],"lower":[112],"average":[113,199],"area":[114],"per":[115],"lipid,":[116],"while":[117],"obtained":[119],"higher":[121],"concentrations":[123],"fluid-like":[126],"structure.":[127],"best":[129],"agreement":[130],"reference":[133],"data":[134],"experiment":[136],"achieved":[138],"set":[141],"derived":[144],"from":[145,223],"1:30":[149],"lipid:water":[150],"ratio":[152],"providing":[153],"fully":[154],"saturated":[155],"hydration":[156],"DMPC":[158],"lipids.":[159],"Despite":[160],"theoretical":[161],"limitations":[162],"pairwise":[164],"expressed":[167],"dependence,":[172],"all":[173],"resulting":[175],"stable":[179],"correct":[183],"partitioning":[184],"groups":[188],"across":[189],"well":[193],"acceptable":[195],"values":[196],"area,":[201],"compressibility":[202],"orientational":[204],"ordering.":[205],"In":[206],"addition":[207],"simulations,":[210],"has":[213],"proven":[214],"its":[215],"robustness":[216],"modeling":[218],"self-aggregation":[220],"lipids":[222],"randomly":[224],"dispersed":[225],"solution":[226],"structures,":[230],"bicelles,":[231],"vesicles.":[233]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":2},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":2}],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2025-10-10T00:00:00"}
