{"id":"https://openalex.org/W4200276510","doi":"https://doi.org/10.1021/acs.jcim.1c01050","title":"Assembly and Analysis of Cell-Scale Membrane Envelopes","display_name":"Assembly and Analysis of Cell-Scale Membrane Envelopes","publication_year":2021,"publication_date":"2021-12-15","ids":{"openalex":"https://openalex.org/W4200276510","doi":"https://doi.org/10.1021/acs.jcim.1c01050","pmid":"https://pubmed.ncbi.nlm.nih.gov/34910495"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.1c01050","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.1c01050","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":true,"oa_status":"green","oa_url":"https://www.osti.gov/servlets/purl/1839240","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5011336390","display_name":"Josh V. Vermaas","orcid":"https://orcid.org/0000-0003-3139-6469"},"institutions":[{"id":"https://openalex.org/I1297288678","display_name":"National Laboratory of the Rockies","ror":"https://ror.org/036266993","country_code":"US","type":"facility","lineage":["https://openalex.org/I1297288678","https://openalex.org/I1330989302","https://openalex.org/I2800842121"]},{"id":"https://openalex.org/I157725225","display_name":"University of Illinois Urbana-Champaign","ror":"https://ror.org/047426m28","country_code":"US","type":"education","lineage":["https://openalex.org/I157725225"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Josh V. Vermaas","raw_affiliation_strings":["Biosciences Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States","Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States"],"raw_orcid":"https://orcid.org/0000-0003-3139-6469","affiliations":[{"raw_affiliation_string":"Biosciences Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States","institution_ids":["https://openalex.org/I1297288678"]},{"raw_affiliation_string":"Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States","institution_ids":["https://openalex.org/I157725225"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038966502","display_name":"Christopher G. Mayne","orcid":"https://orcid.org/0000-0001-8905-6569"},"institutions":[{"id":"https://openalex.org/I157725225","display_name":"University of Illinois Urbana-Champaign","ror":"https://ror.org/047426m28","country_code":"US","type":"education","lineage":["https://openalex.org/I157725225"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christopher G. Mayne","raw_affiliation_strings":["Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States","institution_ids":["https://openalex.org/I157725225"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020715908","display_name":"Eric Shinn","orcid":null},"institutions":[{"id":"https://openalex.org/I157725225","display_name":"University of Illinois Urbana-Champaign","ror":"https://ror.org/047426m28","country_code":"US","type":"education","lineage":["https://openalex.org/I157725225"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Eric Shinn","raw_affiliation_strings":["Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States","institution_ids":["https://openalex.org/I157725225"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5087810793","display_name":"Emad Tajkhorshid","orcid":"https://orcid.org/0000-0001-8434-1010"},"institutions":[{"id":"https://openalex.org/I157725225","display_name":"University of Illinois Urbana-Champaign","ror":"https://ror.org/047426m28","country_code":"US","type":"education","lineage":["https://openalex.org/I157725225"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Emad Tajkhorshid","raw_affiliation_strings":["Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States"],"raw_orcid":"https://orcid.org/0000-0001-8434-1010","affiliations":[{"raw_affiliation_string":"Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States","institution_ids":["https://openalex.org/I157725225"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5011336390","https://openalex.org/A5087810793"],"corresponding_institution_ids":["https://openalex.org/I1297288678","https://openalex.org/I157725225"],"apc_list":null,"apc_paid":null,"fwci":3.888,"has_fulltext":true,"cited_by_count":32,"citation_normalized_percentile":{"value":0.93681447,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"62","issue":"3","first_page":"602","last_page":"617"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11048","display_name":"Bacteriophages and microbial interactions","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2303","display_name":"Ecology"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11048","display_name":"Bacteriophages and microbial interactions","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2303","display_name":"Ecology"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10120","display_name":"Bacterial Genetics and Biotechnology","score":0.996399998664856,"subfield":{"id":"https://openalex.org/subfields/1311","display_name":"Genetics"},"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/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9940000176429749,"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/workflow","display_name":"Workflow","score":0.6244891881942749},{"id":"https://openalex.org/keywords/protocell","display_name":"Protocell","score":0.5998312830924988},{"id":"https://openalex.org/keywords/membrane","display_name":"Membrane","score":0.5784293413162231},{"id":"https://openalex.org/keywords/scale","display_name":"Scale (ratio)","score":0.5429610013961792},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5005865097045898},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.4607603847980499},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.4341965317726135},{"id":"https://openalex.org/keywords/organelle","display_name":"Organelle","score":0.4128796458244324},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.38426142930984497},{"id":"https://openalex.org/keywords/distributed-computing","display_name":"Distributed computing","score":0.3740464150905609},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.26626822352409363},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.21452924609184265},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.2050483226776123},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.159670889377594},{"id":"https://openalex.org/keywords/cell-biology","display_name":"Cell biology","score":0.1294528841972351}],"concepts":[{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.6244891881942749},{"id":"https://openalex.org/C114032466","wikidata":"https://www.wikidata.org/wiki/Q1389465","display_name":"Protocell","level":3,"score":0.5998312830924988},{"id":"https://openalex.org/C41625074","wikidata":"https://www.wikidata.org/wiki/Q176088","display_name":"Membrane","level":2,"score":0.5784293413162231},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.5429610013961792},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5005865097045898},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.4607603847980499},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.4341965317726135},{"id":"https://openalex.org/C168240541","wikidata":"https://www.wikidata.org/wiki/Q45948","display_name":"Organelle","level":2,"score":0.4128796458244324},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.38426142930984497},{"id":"https://openalex.org/C120314980","wikidata":"https://www.wikidata.org/wiki/Q180634","display_name":"Distributed computing","level":1,"score":0.3740464150905609},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.26626822352409363},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.21452924609184265},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.2050483226776123},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.159670889377594},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.1294528841972351},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","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},{"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":5,"locations":[{"id":"doi:10.1021/acs.jcim.1c01050","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.1c01050","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:34910495","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/34910495","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:osti.gov:1839240","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1839240","pdf_url":"https://www.osti.gov/servlets/purl/1839240","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"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":null},{"id":"pmh:oai:osti.gov:1858060","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1858060","pdf_url":null,"source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":""},{"id":"pmh:oai:pubmedcentral.nih.gov:8903035","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/8903035","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:osti.gov:1839240","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1839240","pdf_url":"https://www.osti.gov/servlets/purl/1839240","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"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":null},"sustainable_development_goals":[{"score":0.4399999976158142,"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9"}],"awards":[{"id":"https://openalex.org/G5171439804","display_name":null,"funder_award_id":"P41-GM104601","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"},{"id":"https://openalex.org/F4320337547","display_name":"Laboratory Directed Research and Development","ror":"https://ror.org/01e41cf67"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4200276510.pdf","grobid_xml":"https://content.openalex.org/works/W4200276510.grobid-xml"},"referenced_works_count":118,"referenced_works":["https://openalex.org/W568655970","https://openalex.org/W951719083","https://openalex.org/W1031578623","https://openalex.org/W1145688032","https://openalex.org/W1493374012","https://openalex.org/W1528181630","https://openalex.org/W1807366173","https://openalex.org/W1809477209","https://openalex.org/W1964051078","https://openalex.org/W1968091062","https://openalex.org/W1972859350","https://openalex.org/W1974035453","https://openalex.org/W1980730766","https://openalex.org/W1983961421","https://openalex.org/W1984290676","https://openalex.org/W1985357723","https://openalex.org/W1990771438","https://openalex.org/W2003949305","https://openalex.org/W2004189813","https://openalex.org/W2004991443","https://openalex.org/W2005500642","https://openalex.org/W2019469354","https://openalex.org/W2019958839","https://openalex.org/W2020579993","https://openalex.org/W2021064626","https://openalex.org/W2021882008","https://openalex.org/W2023979176","https://openalex.org/W2023980306","https://openalex.org/W2028695285","https://openalex.org/W2029667189","https://openalex.org/W2029726401","https://openalex.org/W2030171935","https://openalex.org/W2031367292","https://openalex.org/W2036381880","https://openalex.org/W2039494409","https://openalex.org/W2043891370","https://openalex.org/W2051864856","https://openalex.org/W2051925784","https://openalex.org/W2056672534","https://openalex.org/W2057405164","https://openalex.org/W2057477511","https://openalex.org/W2058031442","https://openalex.org/W2058419814","https://openalex.org/W2058971275","https://openalex.org/W2059013803","https://openalex.org/W2060894986","https://openalex.org/W2062865981","https://openalex.org/W2070193822","https://openalex.org/W2074881859","https://openalex.org/W2081571345","https://openalex.org/W2081693079","https://openalex.org/W2081724315","https://openalex.org/W2082894283","https://openalex.org/W2089638270","https://openalex.org/W2091148298","https://openalex.org/W2097775366","https://openalex.org/W2098782290","https://openalex.org/W2111935912","https://openalex.org/W2119267663","https://openalex.org/W2120238752","https://openalex.org/W2125910575","https://openalex.org/W2134762386","https://openalex.org/W2135737750","https://openalex.org/W2136558879","https://openalex.org/W2140831051","https://openalex.org/W2144447780","https://openalex.org/W2146411229","https://openalex.org/W2150981586","https://openalex.org/W2151616366","https://openalex.org/W2152442148","https://openalex.org/W2154631064","https://openalex.org/W2156297272","https://openalex.org/W2166660130","https://openalex.org/W2170711116","https://openalex.org/W2170743627","https://openalex.org/W2171268876","https://openalex.org/W2178132894","https://openalex.org/W2182236066","https://openalex.org/W2210025941","https://openalex.org/W2264936970","https://openalex.org/W2300518955","https://openalex.org/W2304674135","https://openalex.org/W2327429313","https://openalex.org/W2334653157","https://openalex.org/W2418598518","https://openalex.org/W2460255279","https://openalex.org/W2470199776","https://openalex.org/W2510830852","https://openalex.org/W2542660070","https://openalex.org/W2566426621","https://openalex.org/W2613969170","https://openalex.org/W2743526077","https://openalex.org/W2750209125","https://openalex.org/W2768114066","https://openalex.org/W2796694178","https://openalex.org/W2797019411","https://openalex.org/W2805750008","https://openalex.org/W2892113269","https://openalex.org/W2894708945","https://openalex.org/W2900387677","https://openalex.org/W2901692361","https://openalex.org/W2904777742","https://openalex.org/W2910356247","https://openalex.org/W2927778654","https://openalex.org/W2981948585","https://openalex.org/W3004325570","https://openalex.org/W3007221501","https://openalex.org/W3016436253","https://openalex.org/W3022840618","https://openalex.org/W3106352682","https://openalex.org/W3106674684","https://openalex.org/W3119526478","https://openalex.org/W3148042916","https://openalex.org/W3155545561","https://openalex.org/W3199102733","https://openalex.org/W3214093190","https://openalex.org/W4238387639","https://openalex.org/W4251600401"],"related_works":["https://openalex.org/W2488224828","https://openalex.org/W2033867172","https://openalex.org/W2499941174","https://openalex.org/W4324018125","https://openalex.org/W3119990432","https://openalex.org/W4390267564","https://openalex.org/W4229081462","https://openalex.org/W2330839048","https://openalex.org/W4396885839","https://openalex.org/W4390135158"],"abstract_inverted_index":{"The":[0,182],"march":[1],"toward":[2],"exascale":[3],"computing":[4],"will":[5,45,262,274],"enable":[6,46],"routine":[7],"molecular":[8,191],"simulation":[9,18,31,147],"of":[10,19,26,29,49,89,104,126,158,169,177,206,217,235,249,270,280,292],"larger":[11],"and":[12,51,67,80,84,93,173,195,257,285],"more":[13],"complex":[14],"systems,":[15],"for":[16,69,87,102,224,266],"example,":[17],"entire":[20],"viral":[21],"particles,":[22],"on":[23,116,137,238],"the":[24,40,112,124,146,167,175,190,204,222,233,239,247,250,255,264,267,278,290],"scale":[25,248],"approximately":[27],"billions":[28],"atoms\u2500a":[30],"size":[32,168,176],"commensurate":[33],"with":[34,123],"a":[35,118,127,170,178,293],"small":[36,179,286],"bacterial":[37,180],"cell.":[38,181,294],"Anticipating":[39],"future":[41],"hardware":[42],"capabilities":[43],"that":[44,108,254],"this":[47,150],"type":[48],"research":[50],"paralleling":[52],"advances":[53],"in":[54,78,209],"experimental":[55],"structural":[56],"biology,":[57],"efforts":[58,77],"are":[59,109],"currently":[60],"underway":[61],"to":[62,145,162,232,276,289],"develop":[63],"software":[64],"tools,":[65],"procedures,":[66],"workflows":[68],"constructing":[70],"cell-scale":[71,90,219,271],"structures.":[72],"Herein,":[73],"we":[74,152],"describe":[75],"our":[76,207],"developing":[79],"implementing":[81,117],"an":[82,242],"efficient":[83],"robust":[85],"workflow":[86],"construction":[88,103],"membrane":[91,95,106,183,213,229],"envelopes":[92,184],"embedding":[94],"proteins":[96,230],"into":[97],"them.":[98],"A":[99],"new":[100],"approach":[101],"massive":[105],"structures":[107,220],"stable":[110],"during":[111,189],"simulations":[113,193,216],"is":[114],"built":[115],"subtractive":[119],"assembly":[120],"technique":[121],"coupled":[122],"development":[125],"structure":[128],"concatenation":[129],"tool":[130],"(fastmerge),":[131],"which":[132,273],"eliminates":[133],"overlapping":[134],"elements":[135],"based":[136],"volumetric":[138],"criteria":[139],"rather":[140],"than":[141],"adding":[142],"successive":[143],"molecules":[144,287],"system.":[148],"Using":[149],"approach,":[151],"have":[153],"constructed":[154,185],"two":[155],"\"protocells\"":[156],"consisting":[157],"MARTINI":[159],"coarse-grained":[160],"beads":[161],"represent":[163],"cellular":[164,171],"membranes,":[165],"one":[166],"organelle":[172],"another":[174],"here":[186,261],"remain":[187],"whole":[188],"dynamics":[192],"performed":[194],"exhibit":[196],"water":[197],"flux":[198],"only":[199],"through":[200],"specific":[201],"proteins,":[202,282],"demonstrating":[203],"success":[205],"methodology":[208],"creating":[210],"tight":[211],"cell-like":[212],"compartments.":[214],"Extended":[215],"these":[218],"highlight":[221],"propensity":[223],"nonspecific":[225],"interactions":[226],"between":[227],"adjacent":[228],"leading":[231],"formation":[234],"protein":[236],"microclusters":[237],"cell":[240],"surface,":[241],"insight":[243],"uniquely":[244],"enabled":[245],"by":[246],"simulations.":[251],"We":[252],"anticipate":[253],"experiences":[256],"best":[258],"practices":[259],"presented":[260],"form":[263],"basis":[265],"next":[268],"generation":[269],"models,":[272],"begin":[275],"address":[277],"addition":[279],"soluble":[281],"nucleic":[283],"acids,":[284],"essential":[288],"function":[291]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":7},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":10},{"year":2022,"cited_by_count":7},{"year":2021,"cited_by_count":1}],"updated_date":"2026-05-28T09:10:13.091523","created_date":"2025-10-10T00:00:00"}
