{"id":"https://openalex.org/W4407821046","doi":"https://doi.org/10.3233/978-1-60750-027-8-3","title":"DockFlow – a prototypic PharmaGrid for Virtual Screening Integrating Four Different Docking Tools","display_name":"DockFlow – a prototypic PharmaGrid for Virtual Screening Integrating Four Different Docking Tools","publication_year":2009,"publication_date":"2009-01-01","ids":{"openalex":"https://openalex.org/W4407821046","doi":"https://doi.org/10.3233/978-1-60750-027-8-3"},"language":"en","primary_location":{"id":"doi:10.3233/978-1-60750-027-8-3","is_oa":false,"landing_page_url":"https://doi.org/10.3233/978-1-60750-027-8-3","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":"book-chapter","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/A5116367878","display_name":"Wolf Antje","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Wolf Antje","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074137704","display_name":"Hofmann-Apitius Martin","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Hofmann-Apitius Martin","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5116367879","display_name":"Ghanem Moustafa","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ghanem Moustafa","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5116367880","display_name":"Azam Nabeel","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Azam Nabeel","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5116367881","display_name":"Kalaitzopoulos Dimitrios","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Kalaitzopoulos Dimitrios","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5116367882","display_name":"Yu Kunqian","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Yu Kunqian","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5033281259","display_name":"Kasam Vinod","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Kasam Vinod","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5116367878"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.65521978,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11986","display_name":"Scientific Computing and Data Management","score":0.9235000014305115,"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"}},"topics":[{"id":"https://openalex.org/T11986","display_name":"Scientific Computing and Data Management","score":0.9235000014305115,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.6363747119903564},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5487410426139832},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.14524471759796143},{"id":"https://openalex.org/keywords/nursing","display_name":"Nursing","score":0.06521204113960266}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6363747119903564},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5487410426139832},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.14524471759796143},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.06521204113960266}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.3233/978-1-60750-027-8-3","is_oa":false,"landing_page_url":"https://doi.org/10.3233/978-1-60750-027-8-3","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":"pmh:oai:fraunhofer.de:N-97118","is_oa":false,"landing_page_url":"http://publica.fraunhofer.de/documents/N-97118.html","pdf_url":null,"source":{"id":"https://openalex.org/S4306400801","display_name":"Publikationsdatenbank der Fraunhofer-Gesellschaft (Fraunhofer-Gesellschaft)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4923324","host_organization_name":"Fraunhofer-Gesellschaft","host_organization_lineage":["https://openalex.org/I4923324"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Fraunhofer SCAI","raw_type":"Conference Paper"},{"id":"pmh:oai:publica.fraunhofer.de:publica/362234","is_oa":false,"landing_page_url":"https://publica.fraunhofer.de/handle/publica/362234","pdf_url":null,"source":{"id":"https://openalex.org/S4306400318","display_name":"Fraunhofer-Publica (Fraunhofer-Gesellschaft)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4923324","host_organization_name":"Fraunhofer-Gesellschaft","host_organization_lineage":["https://openalex.org/I4923324"],"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":"conference paper"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W4391913857","https://openalex.org/W2358668433","https://openalex.org/W4396701345","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W4396696052"],"abstract_inverted_index":{"In":[0,100],"this":[1],"paper":[2],"we":[3,61,102],"present":[4],"DockFlow,":[5,59],"a":[6,10,63,90,96,105,137,145,150],"prototypic":[7],"version":[8],"of":[9,31,65,72,84,119,141,160],"PharmaGrid.":[11],"DockFlow":[12,101,164],"is":[13,166],"supporting":[14],"pharmaceutical":[15],"research":[16],"through":[17],"enabling":[18],"virtual":[19,50,92,111],"screening":[20,51,93,112],"on":[21,104,168],"the":[22,29,32,37,55,70,82,86,114,142,155,161],"Grid.":[23],"The":[24,163],"system":[25,94],"was":[26],"developed":[27],"in":[28,54,89,131,144],"course":[30],"BRIDGE":[33],"project":[34],"funded":[35],"by":[36,75],"European":[38],"Commission.":[39],"Grids":[40],"have":[41],"been":[42],"used":[43],"before":[44],"to":[45],"run":[46],"compute-":[47],"and":[48,127,133,158,174],"data-intensive":[49],"experiments,":[52],"like":[53,69],"WISDOM":[56],"project.":[57],"With":[58],"however,":[60],"addressed":[62,81],"variety":[64],"problems":[66],"yet":[67],"unsolved,":[68],"diversity":[71],"results":[73,143],"produced":[74,88],"different":[76,121],"docking":[77,98,122],"tools.":[78],"We":[79],"also":[80],"problem":[83,107],"analysing":[85],"data":[87],"distributed":[91],"applying":[95],"combinatorial":[97],"approach.":[99],"worked":[103],"grid-based":[106],"solving":[108],"environment":[109],"for":[110,154],"with":[113],"following":[115],"major":[116],"features:":[117],"execution":[118],"four":[120],"services":[123],"(FlexX,":[124],"AutoDock,":[125],"DOCK":[126],"GAsDock)":[128],"at":[129],"locations":[130],"Europe":[132],"China":[134],"remotely":[135],"from":[136],"common":[138,146],"workflow,":[139],"storage":[140],"Docking":[147],"Database":[148],"providing":[149],"shared":[151],"analysis":[152],"platform":[153],"collaboration":[156],"partners":[157],"combination":[159],"results.":[162],"prototype":[165],"evaluated":[167],"two":[169],"scientific":[170],"case":[171],"studies:":[172],"malaria":[173],"avian":[175],"flu.":[176]},"counts_by_year":[],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2025-02-22T00:00:00"}