{"id":"https://openalex.org/W1970573715","doi":"https://doi.org/10.1186/1758-2946-4-s1-p21","title":"MoSGrid: efficient data management and a standardized data exchange format for molecular simulations in a grid environment","display_name":"MoSGrid: efficient data management and a standardized data exchange format for molecular simulations in a grid environment","publication_year":2012,"publication_date":"2012-05-01","ids":{"openalex":"https://openalex.org/W1970573715","doi":"https://doi.org/10.1186/1758-2946-4-s1-p21","mag":"1970573715"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-4-s1-p21","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-4-s1-p21","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-4-S1-P21","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-4-S1-P21","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5021509824","display_name":"Georg Birkenheuer","orcid":null},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Georg Birkenheuer","raw_affiliation_strings":["Universit\u00e4t Paderborn, Paderborn, 33098, Germany","Universitat Paderborn, Paderborn, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e4t Paderborn, Paderborn, 33098, Germany","institution_ids":["https://openalex.org/I206945453"]},{"raw_affiliation_string":"Universitat Paderborn, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029861377","display_name":"Dirk Blunk","orcid":"https://orcid.org/0000-0001-6365-0404"},"institutions":[{"id":"https://openalex.org/I180923762","display_name":"University of Cologne","ror":"https://ror.org/00rcxh774","country_code":"DE","type":"education","lineage":["https://openalex.org/I180923762"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Dirk Blunk","raw_affiliation_strings":["Universit\u00e4t zu K\u00f6ln, K\u00f6ln, 50923, Germany","Universit\u00e4t zu K\u00f6ln, #R##N#K\u00f6ln, #R##N#Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e4t zu K\u00f6ln, K\u00f6ln, 50923, Germany","institution_ids":["https://openalex.org/I180923762"]},{"raw_affiliation_string":"Universit\u00e4t zu K\u00f6ln, #R##N#K\u00f6ln, #R##N#Germany","institution_ids":["https://openalex.org/I180923762"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037357966","display_name":"Sebastian Breuers","orcid":null},"institutions":[{"id":"https://openalex.org/I180923762","display_name":"University of Cologne","ror":"https://ror.org/00rcxh774","country_code":"DE","type":"education","lineage":["https://openalex.org/I180923762"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Sebastian Breuers","raw_affiliation_strings":["Universit\u00e4t zu K\u00f6ln, K\u00f6ln, 50923, Germany","Universit\u00e4t zu K\u00f6ln, #R##N#K\u00f6ln, #R##N#Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e4t zu K\u00f6ln, K\u00f6ln, 50923, Germany","institution_ids":["https://openalex.org/I180923762"]},{"raw_affiliation_string":"Universit\u00e4t zu K\u00f6ln, #R##N#K\u00f6ln, #R##N#Germany","institution_ids":["https://openalex.org/I180923762"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011466225","display_name":"Andr\u00e9 Brinkmann","orcid":"https://orcid.org/0000-0003-3083-2775"},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Andr\u00e9 Brinkmann","raw_affiliation_strings":["Universit\u00e4t Paderborn, Paderborn, 33098, Germany","Universitat Paderborn, Paderborn, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e4t Paderborn, Paderborn, 33098, Germany","institution_ids":["https://openalex.org/I206945453"]},{"raw_affiliation_string":"Universitat Paderborn, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109428603","display_name":"Ines dos Santos Vieira","orcid":null},"institutions":[{"id":"https://openalex.org/I200332995","display_name":"TU Dortmund University","ror":"https://ror.org/01k97gp34","country_code":"DE","type":"education","lineage":["https://openalex.org/I200332995"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Ines dos Santos Vieira","raw_affiliation_strings":["Fakult\u00e4t Chemie, Technische Universit\u00e4t Dortmund, Dortmund, 44221, Germany","Fakult\u00e4t Chemie, Technische Universit\u00e4t Dortmund, Dortmund, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fakult\u00e4t Chemie, Technische Universit\u00e4t Dortmund, Dortmund, 44221, Germany","institution_ids":["https://openalex.org/I200332995"]},{"raw_affiliation_string":"Fakult\u00e4t Chemie, Technische Universit\u00e4t Dortmund, Dortmund, Germany","institution_ids":["https://openalex.org/I200332995"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084863154","display_name":"Gregor Fels","orcid":null},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Gregor Fels","raw_affiliation_strings":["Universit\u00e4t Paderborn, Paderborn, 33098, Germany","Universitat Paderborn, Paderborn, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e4t Paderborn, Paderborn, 33098, Germany","institution_ids":["https://openalex.org/I206945453"]},{"raw_affiliation_string":"Universitat Paderborn, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091197632","display_name":"Sandra Gesing","orcid":"https://orcid.org/0000-0002-6051-0673"},"institutions":[{"id":"https://openalex.org/I8087733","display_name":"University of T\u00fcbingen","ror":"https://ror.org/03a1kwz48","country_code":"DE","type":"education","lineage":["https://openalex.org/I8087733"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Sandra Gesing","raw_affiliation_strings":["Eberhard-Karls-Universit\u00e4t T\u00fcbingen, T\u00fcbingen, 72074, Germany","Eberhard-Karls Universit\u00e4t T\u00fcbingen, T\u00fcbingen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Eberhard-Karls-Universit\u00e4t T\u00fcbingen, T\u00fcbingen, 72074, Germany","institution_ids":["https://openalex.org/I8087733"]},{"raw_affiliation_string":"Eberhard-Karls Universit\u00e4t T\u00fcbingen, T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I8087733"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024988998","display_name":"Richard Grunzke","orcid":"https://orcid.org/0000-0002-1255-5498"},"institutions":[{"id":"https://openalex.org/I78650965","display_name":"Technische Universit\u00e4t Dresden","ror":"https://ror.org/042aqky30","country_code":"DE","type":"education","lineage":["https://openalex.org/I78650965"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Richard Grunzke","raw_affiliation_strings":["Technische Universit\u00e4t Dresden, Dresden, 01187, Germany","Technische Universit\u00e1t Dresden, Dresden, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Technische Universit\u00e4t Dresden, Dresden, 01187, Germany","institution_ids":["https://openalex.org/I78650965"]},{"raw_affiliation_string":"Technische Universit\u00e1t Dresden, Dresden, Germany","institution_ids":["https://openalex.org/I78650965"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009620443","display_name":"Sonja Herres\u2010Pawlis","orcid":"https://orcid.org/0000-0002-4354-4353"},"institutions":[{"id":"https://openalex.org/I200332995","display_name":"TU Dortmund University","ror":"https://ror.org/01k97gp34","country_code":"DE","type":"education","lineage":["https://openalex.org/I200332995"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Sonja Herres-Pawlis","raw_affiliation_strings":["Fakult\u00e4t Chemie, Technische Universit\u00e4t Dortmund, Dortmund, 44221, Germany","Fakult\u00e4t Chemie, Technische Universit\u00e4t Dortmund, Dortmund, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fakult\u00e4t Chemie, Technische Universit\u00e4t Dortmund, Dortmund, 44221, Germany","institution_ids":["https://openalex.org/I200332995"]},{"raw_affiliation_string":"Fakult\u00e4t Chemie, Technische Universit\u00e4t Dortmund, Dortmund, Germany","institution_ids":["https://openalex.org/I200332995"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053621010","display_name":"Oliver Kohlbacher","orcid":"https://orcid.org/0000-0003-1739-4598"},"institutions":[{"id":"https://openalex.org/I8087733","display_name":"University of T\u00fcbingen","ror":"https://ror.org/03a1kwz48","country_code":"DE","type":"education","lineage":["https://openalex.org/I8087733"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Oliver Kohlbacher","raw_affiliation_strings":["Eberhard-Karls-Universit\u00e4t T\u00fcbingen, T\u00fcbingen, 72074, Germany","Eberhard-Karls Universit\u00e4t T\u00fcbingen, T\u00fcbingen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Eberhard-Karls-Universit\u00e4t T\u00fcbingen, T\u00fcbingen, 72074, Germany","institution_ids":["https://openalex.org/I8087733"]},{"raw_affiliation_string":"Eberhard-Karls Universit\u00e4t T\u00fcbingen, T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I8087733"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024793839","display_name":"Jens Kr\u00fcger","orcid":"https://orcid.org/0000-0002-2636-3163"},"institutions":[{"id":"https://openalex.org/I206945453","display_name":"Paderborn University","ror":"https://ror.org/058kzsd48","country_code":"DE","type":"education","lineage":["https://openalex.org/I206945453"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Jens Kr\u00fcger","raw_affiliation_strings":["Universit\u00e4t Paderborn, Paderborn, 33098, Germany","Universitat Paderborn, Paderborn, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e4t Paderborn, Paderborn, 33098, Germany","institution_ids":["https://openalex.org/I206945453"]},{"raw_affiliation_string":"Universitat Paderborn, Paderborn, Germany","institution_ids":["https://openalex.org/I206945453"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040060768","display_name":"Ulrich Lang","orcid":"https://orcid.org/0000-0001-7166-0805"},"institutions":[{"id":"https://openalex.org/I180923762","display_name":"University of Cologne","ror":"https://ror.org/00rcxh774","country_code":"DE","type":"education","lineage":["https://openalex.org/I180923762"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Ulrich Lang","raw_affiliation_strings":["Universit\u00e4t zu K\u00f6ln, K\u00f6ln, 50923, Germany","Universit\u00e4t zu K\u00f6ln, #R##N#K\u00f6ln, #R##N#Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e4t zu K\u00f6ln, K\u00f6ln, 50923, Germany","institution_ids":["https://openalex.org/I180923762"]},{"raw_affiliation_string":"Universit\u00e4t zu K\u00f6ln, #R##N#K\u00f6ln, #R##N#Germany","institution_ids":["https://openalex.org/I180923762"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082568567","display_name":"Lars Packschies","orcid":null},"institutions":[{"id":"https://openalex.org/I180923762","display_name":"University of Cologne","ror":"https://ror.org/00rcxh774","country_code":"DE","type":"education","lineage":["https://openalex.org/I180923762"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Lars Packschies","raw_affiliation_strings":["Universit\u00e4t zu K\u00f6ln, K\u00f6ln, 50923, Germany","Universit\u00e4t zu K\u00f6ln, #R##N#K\u00f6ln, #R##N#Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e4t zu K\u00f6ln, K\u00f6ln, 50923, Germany","institution_ids":["https://openalex.org/I180923762"]},{"raw_affiliation_string":"Universit\u00e4t zu K\u00f6ln, #R##N#K\u00f6ln, #R##N#Germany","institution_ids":["https://openalex.org/I180923762"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047894471","display_name":"R. M\u00fcller-Pfefferkorn","orcid":"https://orcid.org/0000-0001-8719-5741"},"institutions":[{"id":"https://openalex.org/I78650965","display_name":"Technische Universit\u00e4t Dresden","ror":"https://ror.org/042aqky30","country_code":"DE","type":"education","lineage":["https://openalex.org/I78650965"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Ralph M\u00fcller-Pfefferkorn","raw_affiliation_strings":["Technische Universit\u00e4t Dresden, Dresden, 01187, Germany","Technische Universit\u00e1t Dresden, Dresden, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Technische Universit\u00e4t Dresden, Dresden, 01187, Germany","institution_ids":["https://openalex.org/I78650965"]},{"raw_affiliation_string":"Technische Universit\u00e1t Dresden, Dresden, Germany","institution_ids":["https://openalex.org/I78650965"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103083154","display_name":"Patrick Sch\u00e4fer","orcid":"https://orcid.org/0000-0003-2244-6065"},"institutions":[{"id":"https://openalex.org/I195893171","display_name":"Zuse Institute Berlin","ror":"https://ror.org/02eva5865","country_code":"DE","type":"facility","lineage":["https://openalex.org/I195893171"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Patrick Sch\u00e4fer","raw_affiliation_strings":["Konrad-Zuse-Zentrum f\u00fcr Informationstechnik, Berlin, 14195, Germany","Konrad-Zuse-Zentrum f\u00fcr Informationstechnik Berlin  (Germany)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Konrad-Zuse-Zentrum f\u00fcr Informationstechnik, Berlin, 14195, Germany","institution_ids":["https://openalex.org/I195893171"]},{"raw_affiliation_string":"Konrad-Zuse-Zentrum f\u00fcr Informationstechnik Berlin  (Germany)","institution_ids":["https://openalex.org/I195893171"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090438638","display_name":"Thomas Steinke","orcid":"https://orcid.org/0000-0002-0338-8042"},"institutions":[{"id":"https://openalex.org/I195893171","display_name":"Zuse Institute Berlin","ror":"https://ror.org/02eva5865","country_code":"DE","type":"facility","lineage":["https://openalex.org/I195893171"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Thomas Steinke","raw_affiliation_strings":["Konrad-Zuse-Zentrum f\u00fcr Informationstechnik, Berlin, 14195, Germany","Konrad-Zuse-Zentrum f\u00fcr Informationstechnik Berlin  (Germany)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Konrad-Zuse-Zentrum f\u00fcr Informationstechnik, Berlin, 14195, Germany","institution_ids":["https://openalex.org/I195893171"]},{"raw_affiliation_string":"Konrad-Zuse-Zentrum f\u00fcr Informationstechnik Berlin  (Germany)","institution_ids":["https://openalex.org/I195893171"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003605744","display_name":"Klaus\u2010Dieter Warzecha","orcid":"https://orcid.org/0000-0001-6912-3234"},"institutions":[{"id":"https://openalex.org/I180923762","display_name":"University of Cologne","ror":"https://ror.org/00rcxh774","country_code":"DE","type":"education","lineage":["https://openalex.org/I180923762"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Klaus-Dieter Warzecha","raw_affiliation_strings":["Universit\u00e4t zu K\u00f6ln, K\u00f6ln, 50923, Germany","Universit\u00e4t zu K\u00f6ln, #R##N#K\u00f6ln, #R##N#Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e4t zu K\u00f6ln, K\u00f6ln, 50923, Germany","institution_ids":["https://openalex.org/I180923762"]},{"raw_affiliation_string":"Universit\u00e4t zu K\u00f6ln, #R##N#K\u00f6ln, #R##N#Germany","institution_ids":["https://openalex.org/I180923762"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5072675106","display_name":"Martin Wewior","orcid":null},"institutions":[{"id":"https://openalex.org/I180923762","display_name":"University of Cologne","ror":"https://ror.org/00rcxh774","country_code":"DE","type":"education","lineage":["https://openalex.org/I180923762"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Martin Wewior","raw_affiliation_strings":["Universit\u00e4t zu K\u00f6ln, K\u00f6ln, 50923, Germany","Universit\u00e4t zu K\u00f6ln, #R##N#K\u00f6ln, #R##N#Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e4t zu K\u00f6ln, K\u00f6ln, 50923, Germany","institution_ids":["https://openalex.org/I180923762"]},{"raw_affiliation_string":"Universit\u00e4t zu K\u00f6ln, #R##N#K\u00f6ln, #R##N#Germany","institution_ids":["https://openalex.org/I180923762"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":18,"corresponding_author_ids":["https://openalex.org/A5053621010"],"corresponding_institution_ids":["https://openalex.org/I8087733"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.7455,"has_fulltext":true,"cited_by_count":2,"citation_normalized_percentile":{"value":0.71946639,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":96},"biblio":{"volume":"4","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10715","display_name":"Distributed and Parallel Computing Systems","score":0.9987000226974487,"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":0.9987000226974487,"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":0.9690999984741211,"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/T11181","display_name":"Advanced Data Storage Technologies","score":0.9645000100135803,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.8112422227859497},{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.7283916473388672},{"id":"https://openalex.org/keywords/interoperability","display_name":"Interoperability","score":0.6165120601654053},{"id":"https://openalex.org/keywords/grid","display_name":"Grid","score":0.6105231046676636},{"id":"https://openalex.org/keywords/grid-computing","display_name":"Grid computing","score":0.5117452144622803},{"id":"https://openalex.org/keywords/markup-language","display_name":"Markup language","score":0.5093075037002563},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.49402695894241333},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.4437209367752075},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.4323734939098358},{"id":"https://openalex.org/keywords/distributed-computing","display_name":"Distributed computing","score":0.3541136682033539},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.32292789220809937},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.2823219895362854},{"id":"https://openalex.org/keywords/xml","display_name":"XML","score":0.25024282932281494},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.13996997475624084}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8112422227859497},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.7283916473388672},{"id":"https://openalex.org/C20136886","wikidata":"https://www.wikidata.org/wiki/Q749647","display_name":"Interoperability","level":2,"score":0.6165120601654053},{"id":"https://openalex.org/C187691185","wikidata":"https://www.wikidata.org/wiki/Q2020720","display_name":"Grid","level":2,"score":0.6105231046676636},{"id":"https://openalex.org/C70429105","wikidata":"https://www.wikidata.org/wiki/Q249999","display_name":"Grid computing","level":3,"score":0.5117452144622803},{"id":"https://openalex.org/C45874996","wikidata":"https://www.wikidata.org/wiki/Q37045","display_name":"Markup language","level":3,"score":0.5093075037002563},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.49402695894241333},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.4437209367752075},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.4323734939098358},{"id":"https://openalex.org/C120314980","wikidata":"https://www.wikidata.org/wiki/Q180634","display_name":"Distributed computing","level":1,"score":0.3541136682033539},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.32292789220809937},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.2823219895362854},{"id":"https://openalex.org/C8797682","wikidata":"https://www.wikidata.org/wiki/Q2115","display_name":"XML","level":2,"score":0.25024282932281494},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.13996997475624084},{"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}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1186/1758-2946-4-s1-p21","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-4-s1-p21","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-4-S1-P21","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:3341287","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3341287","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Cheminform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-4-s1-p21","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-4-s1-p21","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-4-S1-P21","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.5799999833106995,"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure"}],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1970573715.pdf","grobid_xml":"https://content.openalex.org/works/W1970573715.grobid-xml"},"referenced_works_count":2,"referenced_works":["https://openalex.org/W151065826","https://openalex.org/W2281828864"],"related_works":["https://openalex.org/W4385386698","https://openalex.org/W2093262417","https://openalex.org/W2123131699","https://openalex.org/W4388119604","https://openalex.org/W2954418080","https://openalex.org/W913131694","https://openalex.org/W650116260","https://openalex.org/W2378329187","https://openalex.org/W4390790060","https://openalex.org/W2134191509"],"abstract_inverted_index":{"The":[0,53],"MoSGrid":[1],"(Molecular":[2,124],"Simulation":[3,125],"Grid)":[4],"project":[5],"is":[6,174],"currently":[7],"establishing":[8],"a":[9,36,128,166,182],"platform":[10,173],"that":[11],"aims":[12],"to":[13,22,39,102,138,177],"be":[14,86],"used":[15],"by":[16,91],"both":[17,112],"experienced":[18],"and":[19,30,44,63,89,115,149,156,192],"inexperienced":[20],"researchers":[21],"submit":[23],"molecular":[24,46,61,153],"simulation":[25,154],"calculations,":[26,119],"monitor":[27],"their":[28],"progress,":[29],"retrieve":[31],"the":[32,74,92,108,113,118,171,178],"results.":[33],"It":[34,159],"provides":[35],"web-based":[37],"portal":[38],"easily":[40],"set":[41],"up,":[42],"run,":[43],"evaluate":[45],"simulations":[47],"carried":[48],"out":[49],"on":[50,142],"D-Grid":[51],"resources.":[52],"range":[54],"of":[55,76,105,117,162],"applications":[56,194],"available":[57,176],"encompasses":[58],"quantum":[59],"chemistry,":[60],"dynamics,":[62],"protein-ligand":[64],"docking":[65,157],"codes.\r\n\r\nIn":[66],"addition,":[67],"data":[68,106,168],"repositories":[69],"were":[70],"developed,":[71],"which":[72],"contain":[73],"results":[75,150],"calculations":[77],"as":[78,80,144,146],"well":[79,145],"\u201crecipes\u201d":[81],"or":[82],"workflows.":[83],"These":[84],"can":[85],"used,":[87],"improved,":[88],"distributed":[90,95],"users.":[93],"A":[94],"high-throughput":[96],"file":[97],"system":[98],"allows":[99],"efficient":[100],"access":[101],"large":[103,147],"amounts":[104],"in":[107,181],"repositories.":[109],"For":[110],"storing":[111],"input":[114],"output":[116],"we":[120],"have":[121],"developed":[122],"MSML":[123,134],"Markup":[126,132],"Language),":[127],"CML":[129],"derivative":[130],"(Chemical":[131],"Language).":[133],"has":[135],"been":[136],"designed":[137],"store":[139],"structural":[140],"information":[141],"small":[143],"molecules":[148],"from":[151],"various":[152],"tools":[155,164],"tools.":[158],"ensures":[160],"interoperability":[161],"different":[163],"through":[165],"consistent":[167],"representation.\r\n\r\nAt":[169],"http://www.mosgrid.de":[170],"new":[172],"already":[175],"scientific":[179],"community":[180],"beta":[183],"test":[184],"phase.":[185],"Currently,":[186],"portlets":[187],"for":[188],"generic":[189],"workflows,":[190],"Gaussian,":[191],"Gromacs":[193],"are":[195],"publicly":[196],"accessible":[197],"[1,2].":[198]},"counts_by_year":[{"year":2014,"cited_by_count":2}],"updated_date":"2026-06-19T15:47:20.252518","created_date":"2025-10-10T00:00:00"}
