{"id":"https://openalex.org/W2155993193","doi":"https://doi.org/10.1109/grid.2007.4354129","title":"Integrating multi-level molecular simulations across heterogeneous resources","display_name":"Integrating multi-level molecular simulations across heterogeneous resources","publication_year":2007,"publication_date":"2007-09-01","ids":{"openalex":"https://openalex.org/W2155993193","doi":"https://doi.org/10.1109/grid.2007.4354129","mag":"2155993193"},"language":"en","primary_location":{"id":"doi:10.1109/grid.2007.4354129","is_oa":false,"landing_page_url":"https://doi.org/10.1109/grid.2007.4354129","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2007 8th IEEE/ACM International Conference on Grid Computing","raw_type":"proceedings-article"},"type":"conference-paper","indexed_in":["crossref"],"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/A5003422824","display_name":"Yudong Sun","orcid":"https://orcid.org/0000-0001-9682-1898"},"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":"Yudong Sun","raw_affiliation_strings":["Computing Laboratory, University of Oxford, Oxford, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computing Laboratory, University of Oxford, Oxford, UK","institution_ids":["https://openalex.org/I40120149"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027129096","display_name":"Steve McKeever","orcid":"https://orcid.org/0000-0002-1970-2884"},"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":"Steve McKeever","raw_affiliation_strings":["Computing Laboratory, University of Oxford, Oxford, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computing Laboratory, University of Oxford, Oxford, UK","institution_ids":["https://openalex.org/I40120149"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015751934","display_name":"Kia Balali-Mood","orcid":null},"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":"Kia Balali-Mood","raw_affiliation_strings":["Department of Biochemistry, University of Oxford, Oxford, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, University of Oxford, Oxford, UK","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"},"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":"Mark S. P. Sansom","raw_affiliation_strings":["Department of Biochemistry, University of Oxford, Oxford, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, University of Oxford, Oxford, UK","institution_ids":["https://openalex.org/I40120149"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I40120149"],"apc_list":null,"apc_paid":null,"fwci":1.6568,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.85083599,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"277","issue":null,"first_page":"161","last_page":"168"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10715","display_name":"Distributed and Parallel Computing Systems","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1705","display_name":"Computer Networks and Communications"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10715","display_name":"Distributed and Parallel Computing Systems","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1705","display_name":"Computer Networks and Communications"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11986","display_name":"Scientific Computing and Data Management","score":0.9959999918937683,"subfield":{"id":"https://openalex.org/subfields/1802","display_name":"Information Systems and Management"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T10932","display_name":"Microbial Metabolic Engineering and Bioproduction","score":0.9890999794006348,"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/computer-science","display_name":"Computer science","score":0.7891876697540283},{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.7501434683799744},{"id":"https://openalex.org/keywords/markup-language","display_name":"Markup language","score":0.5754519701004028},{"id":"https://openalex.org/keywords/xml","display_name":"XML","score":0.5694210529327393},{"id":"https://openalex.org/keywords/grid","display_name":"Grid","score":0.5660574436187744},{"id":"https://openalex.org/keywords/distributed-computing","display_name":"Distributed computing","score":0.5620377659797668},{"id":"https://openalex.org/keywords/representation","display_name":"Representation (politics)","score":0.5134454965591431},{"id":"https://openalex.org/keywords/key","display_name":"Key (lock)","score":0.4966633915901184},{"id":"https://openalex.org/keywords/coupling","display_name":"Coupling (piping)","score":0.4890535771846771},{"id":"https://openalex.org/keywords/grid-computing","display_name":"Grid computing","score":0.44110727310180664},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.38531774282455444},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.16586247086524963},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.09249222278594971}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7891876697540283},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.7501434683799744},{"id":"https://openalex.org/C45874996","wikidata":"https://www.wikidata.org/wiki/Q37045","display_name":"Markup language","level":3,"score":0.5754519701004028},{"id":"https://openalex.org/C8797682","wikidata":"https://www.wikidata.org/wiki/Q2115","display_name":"XML","level":2,"score":0.5694210529327393},{"id":"https://openalex.org/C187691185","wikidata":"https://www.wikidata.org/wiki/Q2020720","display_name":"Grid","level":2,"score":0.5660574436187744},{"id":"https://openalex.org/C120314980","wikidata":"https://www.wikidata.org/wiki/Q180634","display_name":"Distributed computing","level":1,"score":0.5620377659797668},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.5134454965591431},{"id":"https://openalex.org/C26517878","wikidata":"https://www.wikidata.org/wiki/Q228039","display_name":"Key (lock)","level":2,"score":0.4966633915901184},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.4890535771846771},{"id":"https://openalex.org/C70429105","wikidata":"https://www.wikidata.org/wiki/Q249999","display_name":"Grid computing","level":3,"score":0.44110727310180664},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.38531774282455444},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.16586247086524963},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.09249222278594971},{"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/C94625758","wikidata":"https://www.wikidata.org/wiki/Q7163","display_name":"Politics","level":2,"score":0.0},{"id":"https://openalex.org/C38652104","wikidata":"https://www.wikidata.org/wiki/Q3510521","display_name":"Computer security","level":1,"score":0.0},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.0},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1109/grid.2007.4354129","is_oa":false,"landing_page_url":"https://doi.org/10.1109/grid.2007.4354129","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2007 8th IEEE/ACM International Conference on Grid Computing","raw_type":"proceedings-article"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.106.9704","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.106.9704","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://web.comlab.ox.ac.uk/oucl/work/yudong.sun/BioSimML_grid07.pdf","raw_type":"text"},{"id":"pmh:oai:ora.ox.ac.uk:uuid:7af5933a-8e39-4e2a-b266-5c13cbc614bf","is_oa":false,"landing_page_url":"https://ora.ox.ac.uk/objects/uuid:7af5933a-8e39-4e2a-b266-5c13cbc614bf","pdf_url":null,"source":{"id":"https://openalex.org/S4306402636","display_name":"Oxford University Research Archive (ORA) (University of Oxford)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I40120149","host_organization_name":"University of Oxford","host_organization_lineage":["https://openalex.org/I40120149"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Symplectic Elements at Oxford","raw_type":"Conference"},{"id":"pmh:oai:ora.ox.ac.uk:uuid:932101eb-216d-4cce-8836-4f2a4b771c48","is_oa":false,"landing_page_url":"https://ora.ox.ac.uk/objects/uuid:932101eb-216d-4cce-8836-4f2a4b771c48","pdf_url":null,"source":{"id":"https://openalex.org/S4306402636","display_name":"Oxford University Research Archive (ORA) (University of Oxford)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I40120149","host_organization_name":"University of Oxford","host_organization_lineage":["https://openalex.org/I40120149"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Department of Computer Science","raw_type":"Conference item"},{"id":"pmh:oai:ora.ox.ac.uk:uuid:e3712182-8c3f-41d6-99da-8906b701d4cb","is_oa":false,"landing_page_url":"https://ora.ox.ac.uk/objects/uuid:e3712182-8c3f-41d6-99da-8906b701d4cb","pdf_url":null,"source":{"id":"https://openalex.org/S4306402636","display_name":"Oxford University Research Archive (ORA) (University of Oxford)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I40120149","host_organization_name":"University of Oxford","host_organization_lineage":["https://openalex.org/I40120149"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Symplectic Elements at Oxford","raw_type":"Journal article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.6000000238418579,"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9"}],"awards":[],"funders":[{"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":20,"referenced_works":["https://openalex.org/W1521042556","https://openalex.org/W1533059251","https://openalex.org/W1910105166","https://openalex.org/W1971456069","https://openalex.org/W1986191025","https://openalex.org/W1996241990","https://openalex.org/W2013803819","https://openalex.org/W2019922184","https://openalex.org/W2038302435","https://openalex.org/W2042880070","https://openalex.org/W2054652150","https://openalex.org/W2067680858","https://openalex.org/W2093221728","https://openalex.org/W2102299704","https://openalex.org/W2114520383","https://openalex.org/W2123768693","https://openalex.org/W2128607364","https://openalex.org/W2150306348","https://openalex.org/W2150908245","https://openalex.org/W2150981663"],"related_works":["https://openalex.org/W4385386698","https://openalex.org/W4235354490","https://openalex.org/W2143258726","https://openalex.org/W2381082207","https://openalex.org/W2025266532","https://openalex.org/W2136793911","https://openalex.org/W1971521465","https://openalex.org/W2377737135","https://openalex.org/W2100702185","https://openalex.org/W2355331657"],"abstract_inverted_index":{"Biomolecular":[0],"simulations":[1,25,42,71,96,119,131],"play":[2],"a":[3,61,110],"key":[4],"role":[5],"in":[6,16,129],"the":[7,41,67,115],"study":[8],"of":[9,38,69,74],"complex":[10],"biological":[11],"processes":[12],"at":[13,43],"microscopic":[14],"levels":[15,37,45],"which":[17],"macromolecules":[18],"such":[19],"as":[20],"proteins":[21],"are":[22,26],"involved.":[23],"The":[24,87],"usually":[27],"computationally":[28],"demanding":[29],"and":[30,83,124],"no":[31],"single":[32],"method":[33],"can":[34],"achieve":[35],"all":[36],"details.":[39],"Thus,":[40],"different":[44],"need":[46],"to":[47,50,65,93,108,114],"be":[48],"integrated":[49],"jointly":[51],"manifest":[52],"atomic":[53],"insights":[54],"into":[55],"these":[56],"processes.":[57],"This":[58],"paper":[59],"presents":[60],"grid-based":[62],"simulation":[63,101],"framework":[64,88],"support":[66,94],"integration":[68,123],"multi-level":[70,116],"by":[72],"means":[73],"dynamic":[75],"coupling,":[76],"automated":[77],"workflow":[78],"management,":[79],"resource-dependent":[80],"job":[81],"distribution,":[82],"XML-based":[84],"data":[85,112],"representation.":[86],"provides":[89],"an":[90],"e-science":[91],"infrastructure":[92],"biomolecular":[95,100],"on":[97,133],"grids.":[98],"A":[99],"markup":[102],"language":[103],"called":[104],"BioSimML":[105],"is":[106],"developed":[107],"provide":[109],"formatted":[111],"representation":[113],"simulations.":[117],"Experimental":[118],"have":[120],"shown":[121],"flexible":[122],"high":[125],"performance":[126],"enhancement":[127],"achieved":[128],"molecular":[130],"based":[132],"our":[134],"framework.":[135]},"counts_by_year":[{"year":2020,"cited_by_count":1}],"updated_date":"2026-07-29T14:22:42.915294","created_date":"2025-10-10T00:00:00"}