{"id":"https://openalex.org/W168973844","doi":"https://doi.org/10.3233/978-1-60750-027-8-212","title":"A Robust Framework for Rapid Deployment of a Virtual Screening Laboratory","display_name":"A Robust Framework for Rapid Deployment of a Virtual Screening Laboratory","publication_year":2009,"publication_date":"2009-01-01","ids":{"openalex":"https://openalex.org/W168973844","doi":"https://doi.org/10.3233/978-1-60750-027-8-212","mag":"168973844","pmid":"https://pubmed.ncbi.nlm.nih.gov/19593059"},"language":"en","primary_location":{"id":"doi:10.3233/978-1-60750-027-8-212","is_oa":false,"landing_page_url":"https://doi.org/10.3233/978-1-60750-027-8-212","pdf_url":null,"source":{"id":"https://openalex.org/S4210179765","display_name":"Studies in health technology and informatics","issn_l":"0926-9630","issn":["0926-9630","1879-8365"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310318577","host_organization_name":"IOS Press","host_organization_lineage":["https://openalex.org/P4310318577"],"host_organization_lineage_names":["IOS Press"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Studies in Health Technology and Informatics","raw_type":"book-chapter"},"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/A5080292778","display_name":"Mohammad Shahid","orcid":"https://orcid.org/0000-0002-4081-5963"},"institutions":[{"id":"https://openalex.org/I4210098248","display_name":"Fraunhofer Institute for Algorithms and Scientific Computing","ror":"https://ror.org/00trw9c49","country_code":"DE","type":"facility","lineage":["https://openalex.org/I4210098248","https://openalex.org/I4923324"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Shahid Mohammad","raw_affiliation_strings":["Fraunhofer Institute SCAI, Department of Bioinformatics, Germany"],"affiliations":[{"raw_affiliation_string":"Fraunhofer Institute SCAI, Department of Bioinformatics, Germany","institution_ids":["https://openalex.org/I4210098248"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003139478","display_name":"Martin Hofmann\u2010Apitius","orcid":"https://orcid.org/0000-0001-9012-6720"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Hofmann-Apitius Martin","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003054334","display_name":"Oliver W\u00e4ldrich","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"W&auml;ldrich Oliver","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5081296506","display_name":"Wolfgang Ziegler","orcid":"https://orcid.org/0000-0003-4529-1916"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ziegler Wolfgang","raw_affiliation_strings":[],"affiliations":[]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5080292778"],"corresponding_institution_ids":["https://openalex.org/I4210098248"],"apc_list":null,"apc_paid":null,"fwci":0.3427,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.59170051,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"147","issue":null,"first_page":"212","last_page":"21"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10715","display_name":"Distributed and Parallel Computing Systems","score":0.996999979019165,"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":0.996999979019165,"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":0.991599977016449,"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/T10742","display_name":"Peer-to-Peer Network Technologies","score":0.9625999927520752,"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/testbed","display_name":"Testbed","score":0.8919148445129395},{"id":"https://openalex.org/keywords/software-deployment","display_name":"Software deployment","score":0.8645074367523193},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7706843018531799},{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.7660917043685913},{"id":"https://openalex.org/keywords/grid","display_name":"Grid","score":0.6304945349693298},{"id":"https://openalex.org/keywords/virtual-laboratory","display_name":"Virtual Laboratory","score":0.6115108728408813},{"id":"https://openalex.org/keywords/distributed-computing","display_name":"Distributed computing","score":0.5664209127426147},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.5370425581932068},{"id":"https://openalex.org/keywords/grid-computing","display_name":"Grid computing","score":0.5169431567192078},{"id":"https://openalex.org/keywords/flexibility","display_name":"Flexibility (engineering)","score":0.510485053062439},{"id":"https://openalex.org/keywords/scheduling","display_name":"Scheduling (production processes)","score":0.49712589383125305},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.24434837698936462},{"id":"https://openalex.org/keywords/computer-network","display_name":"Computer network","score":0.17944616079330444},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.12235051393508911},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.11751443147659302},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.09408152103424072},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.08229705691337585},{"id":"https://openalex.org/keywords/multimedia","display_name":"Multimedia","score":0.0771649181842804}],"concepts":[{"id":"https://openalex.org/C31395832","wikidata":"https://www.wikidata.org/wiki/Q1318674","display_name":"Testbed","level":2,"score":0.8919148445129395},{"id":"https://openalex.org/C105339364","wikidata":"https://www.wikidata.org/wiki/Q2297740","display_name":"Software deployment","level":2,"score":0.8645074367523193},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7706843018531799},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.7660917043685913},{"id":"https://openalex.org/C187691185","wikidata":"https://www.wikidata.org/wiki/Q2020720","display_name":"Grid","level":2,"score":0.6304945349693298},{"id":"https://openalex.org/C2777609615","wikidata":"https://www.wikidata.org/wiki/Q2527919","display_name":"Virtual Laboratory","level":2,"score":0.6115108728408813},{"id":"https://openalex.org/C120314980","wikidata":"https://www.wikidata.org/wiki/Q180634","display_name":"Distributed computing","level":1,"score":0.5664209127426147},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.5370425581932068},{"id":"https://openalex.org/C70429105","wikidata":"https://www.wikidata.org/wiki/Q249999","display_name":"Grid computing","level":3,"score":0.5169431567192078},{"id":"https://openalex.org/C2780598303","wikidata":"https://www.wikidata.org/wiki/Q65921492","display_name":"Flexibility (engineering)","level":2,"score":0.510485053062439},{"id":"https://openalex.org/C206729178","wikidata":"https://www.wikidata.org/wiki/Q2271896","display_name":"Scheduling (production processes)","level":2,"score":0.49712589383125305},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.24434837698936462},{"id":"https://openalex.org/C31258907","wikidata":"https://www.wikidata.org/wiki/Q1301371","display_name":"Computer network","level":1,"score":0.17944616079330444},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.12235051393508911},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.11751443147659302},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.09408152103424072},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.08229705691337585},{"id":"https://openalex.org/C49774154","wikidata":"https://www.wikidata.org/wiki/Q131765","display_name":"Multimedia","level":1,"score":0.0771649181842804},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C21547014","wikidata":"https://www.wikidata.org/wiki/Q1423657","display_name":"Operations management","level":1,"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/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007753","descriptor_name":"Laboratories","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007753","descriptor_name":"Laboratories","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007753","descriptor_name":"Laboratories","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008403","descriptor_name":"Mass Screening","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008403","descriptor_name":"Mass Screening","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008403","descriptor_name":"Mass Screening","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012985","descriptor_name":"Software Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012985","descriptor_name":"Software Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012985","descriptor_name":"Software Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.3233/978-1-60750-027-8-212","is_oa":false,"landing_page_url":"https://doi.org/10.3233/978-1-60750-027-8-212","pdf_url":null,"source":{"id":"https://openalex.org/S4210179765","display_name":"Studies in health technology and informatics","issn_l":"0926-9630","issn":["0926-9630","1879-8365"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310318577","host_organization_name":"IOS Press","host_organization_lineage":["https://openalex.org/P4310318577"],"host_organization_lineage_names":["IOS Press"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Studies in Health Technology and Informatics","raw_type":"book-chapter"},{"id":"pmid:19593059","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/19593059","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":"Studies in health technology and informatics","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","score":0.4000000059604645,"id":"https://metadata.un.org/sdg/9"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2883256816","https://openalex.org/W2171408034","https://openalex.org/W3003320923","https://openalex.org/W2106140982","https://openalex.org/W2152313554","https://openalex.org/W2064303750","https://openalex.org/W4285042611","https://openalex.org/W1509300825","https://openalex.org/W3092582874","https://openalex.org/W2338718585"],"abstract_inverted_index":{"A":[0],"high":[1],"throughput":[2],"framework":[3,86,113],"for":[4],"virtual":[5,24,36,61,79,95],"screening":[6,25,37,62,80],"(VS)":[7],"applications":[8],"has":[9],"been":[10,41],"designed":[11],"which":[12,55],"enables":[13],"researchers":[14],"in":[15,44,47,99],"in-silico":[16],"drug":[17],"discovery":[18],"to":[19,34,129],"deploy":[20],"large":[21],"scale":[22],"time-consuming":[23],"experiments":[26],"on":[27,38,65],"High":[28],"Performance/Grid":[29],"computing":[30],"environments.":[31],"Issues":[32],"related":[33],"enabling":[35],"grids":[39],"have":[40],"addressed":[42],"extensively":[43],"the":[45,57,75,94,100,103,110,125,130],"past;":[46],"this":[48,85],"paper":[49],"we":[50,88],"describe":[51],"a":[52],"new":[53,111,120],"framework,":[54],"supports":[56],"rapid":[58],"deployment":[59,76,116],"of":[60,77,93,102,109,119],"services":[63],"based":[64],"UNICORE-6":[66],"and":[67,87,117,122],"Meta":[68],"Scheduling":[69],"Service":[70],"(MSS).":[71],"We":[72],"demonstrate,":[73],"how":[74],"complex":[78],"workflows":[81],"is":[82],"facilitated":[83],"by":[84],"provide":[89],"some":[90],"first":[91],"results":[92],"laboratory":[96],"testbed":[97],"established":[98],"course":[101],"EU":[104],"project":[105],"PHOSPHORUS.":[106],"The":[107],"flexibility":[108],"VS":[112],"allows":[114],"easy":[115],"integration":[118],"resources":[121],"applications,":[123],"making":[124],"Grid":[126],"more":[127],"accessible":[128],"users.":[131]},"counts_by_year":[{"year":2018,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2025-12-22T23:10:17.713674","created_date":"2025-10-10T00:00:00"}
