{"id":"https://openalex.org/W2125918905","doi":"https://doi.org/10.1109/mtags.2010.5699426","title":"Compute and data management strategies for grid deployment of high throughput protein structure studies","display_name":"Compute and data management strategies for grid deployment of high throughput protein structure studies","publication_year":2010,"publication_date":"2010-11-01","ids":{"openalex":"https://openalex.org/W2125918905","doi":"https://doi.org/10.1109/mtags.2010.5699426","mag":"2125918905"},"language":"en","primary_location":{"id":"doi:10.1109/mtags.2010.5699426","is_oa":false,"landing_page_url":"https://doi.org/10.1109/mtags.2010.5699426","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2010 3rd Workshop on Many-Task Computing on Grids and Supercomputers","raw_type":"proceedings-article"},"type":"article","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/A5031560227","display_name":"Ian Stokes-Rees","orcid":"https://orcid.org/0000-0002-6832-6168"},"institutions":[{"id":"https://openalex.org/I136199984","display_name":"Harvard University","ror":"https://ror.org/03vek6s52","country_code":"US","type":"education","lineage":["https://openalex.org/I136199984"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Ian Stokes-Rees","raw_affiliation_strings":["Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA, USA","Department of Biological Chemistry & Molecular Pharmacology, Harvard Medical School, Boston, MA 02115;"],"affiliations":[{"raw_affiliation_string":"Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA, USA","institution_ids":["https://openalex.org/I136199984"]},{"raw_affiliation_string":"Department of Biological Chemistry & Molecular Pharmacology, Harvard Medical School, Boston, MA 02115;","institution_ids":["https://openalex.org/I136199984"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5036371085","display_name":"Piotr Sliz","orcid":"https://orcid.org/0000-0002-6522-0835"},"institutions":[{"id":"https://openalex.org/I136199984","display_name":"Harvard University","ror":"https://ror.org/03vek6s52","country_code":"US","type":"education","lineage":["https://openalex.org/I136199984"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Piotr Sliz","raw_affiliation_strings":["Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA, USA","Department of Biological Chemistry & Molecular Pharmacology, Harvard Medical School, Boston, MA 02115;"],"affiliations":[{"raw_affiliation_string":"Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA, USA","institution_ids":["https://openalex.org/I136199984"]},{"raw_affiliation_string":"Department of Biological Chemistry & Molecular Pharmacology, Harvard Medical School, Boston, MA 02115;","institution_ids":["https://openalex.org/I136199984"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5031560227"],"corresponding_institution_ids":["https://openalex.org/I136199984"],"apc_list":null,"apc_paid":null,"fwci":0.3561,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.65505688,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"50","issue":null,"first_page":"1","last_page":"6"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10715","display_name":"Distributed and Parallel Computing Systems","score":0.9998999834060669,"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":0.9998999834060669,"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":0.9994999766349792,"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":0.9993000030517578,"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/workflow","display_name":"Workflow","score":0.8987184762954712},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.8357920050621033},{"id":"https://openalex.org/keywords/cyberinfrastructure","display_name":"Cyberinfrastructure","score":0.7672916650772095},{"id":"https://openalex.org/keywords/grid","display_name":"Grid","score":0.689723551273346},{"id":"https://openalex.org/keywords/distributed-computing","display_name":"Distributed computing","score":0.6731243133544922},{"id":"https://openalex.org/keywords/software-deployment","display_name":"Software deployment","score":0.6347569227218628},{"id":"https://openalex.org/keywords/grid-computing","display_name":"Grid computing","score":0.6346083283424377},{"id":"https://openalex.org/keywords/robustness","display_name":"Robustness (evolution)","score":0.5143643617630005},{"id":"https://openalex.org/keywords/correctness","display_name":"Correctness","score":0.49172118306159973},{"id":"https://openalex.org/keywords/workflow-management-system","display_name":"Workflow management system","score":0.4904334247112274},{"id":"https://openalex.org/keywords/task","display_name":"Task (project management)","score":0.4362497925758362},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.3802066445350647},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.2972109317779541},{"id":"https://openalex.org/keywords/systems-engineering","display_name":"Systems engineering","score":0.16203126311302185},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.08412283658981323}],"concepts":[{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.8987184762954712},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8357920050621033},{"id":"https://openalex.org/C2776397876","wikidata":"https://www.wikidata.org/wiki/Q1450531","display_name":"Cyberinfrastructure","level":2,"score":0.7672916650772095},{"id":"https://openalex.org/C187691185","wikidata":"https://www.wikidata.org/wiki/Q2020720","display_name":"Grid","level":2,"score":0.689723551273346},{"id":"https://openalex.org/C120314980","wikidata":"https://www.wikidata.org/wiki/Q180634","display_name":"Distributed computing","level":1,"score":0.6731243133544922},{"id":"https://openalex.org/C105339364","wikidata":"https://www.wikidata.org/wiki/Q2297740","display_name":"Software deployment","level":2,"score":0.6347569227218628},{"id":"https://openalex.org/C70429105","wikidata":"https://www.wikidata.org/wiki/Q249999","display_name":"Grid computing","level":3,"score":0.6346083283424377},{"id":"https://openalex.org/C63479239","wikidata":"https://www.wikidata.org/wiki/Q7353546","display_name":"Robustness (evolution)","level":3,"score":0.5143643617630005},{"id":"https://openalex.org/C55439883","wikidata":"https://www.wikidata.org/wiki/Q360812","display_name":"Correctness","level":2,"score":0.49172118306159973},{"id":"https://openalex.org/C140824633","wikidata":"https://www.wikidata.org/wiki/Q2808660","display_name":"Workflow management system","level":3,"score":0.4904334247112274},{"id":"https://openalex.org/C2780451532","wikidata":"https://www.wikidata.org/wiki/Q759676","display_name":"Task (project management)","level":2,"score":0.4362497925758362},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.3802066445350647},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.2972109317779541},{"id":"https://openalex.org/C201995342","wikidata":"https://www.wikidata.org/wiki/Q682496","display_name":"Systems engineering","level":1,"score":0.16203126311302185},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.08412283658981323},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"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/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","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/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/mtags.2010.5699426","is_oa":false,"landing_page_url":"https://doi.org/10.1109/mtags.2010.5699426","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2010 3rd Workshop on Many-Task Computing on Grids and Supercomputers","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9","score":0.5400000214576721}],"awards":[],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320306080","display_name":"Foundation for the National Institutes of Health","ror":"https://ror.org/00k86s890"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":16,"referenced_works":["https://openalex.org/W1795725","https://openalex.org/W1814568923","https://openalex.org/W1975277974","https://openalex.org/W1983833794","https://openalex.org/W1995812342","https://openalex.org/W2001641653","https://openalex.org/W2017513580","https://openalex.org/W2103803358","https://openalex.org/W2111259717","https://openalex.org/W2112147882","https://openalex.org/W2124088880","https://openalex.org/W2140332639","https://openalex.org/W2166459269","https://openalex.org/W2172143128","https://openalex.org/W2173213060","https://openalex.org/W4236117108"],"related_works":["https://openalex.org/W2375304607","https://openalex.org/W2391168633","https://openalex.org/W2035995658","https://openalex.org/W2353477037","https://openalex.org/W1574425962","https://openalex.org/W2385499106","https://openalex.org/W2354357087","https://openalex.org/W2352774566","https://openalex.org/W4243836028","https://openalex.org/W2376671203"],"abstract_inverted_index":{"The":[0],"study":[1],"of":[2,13,38,53,96,98,106,141,143,145,161,169,188,190,201,208],"macromolecular":[3],"protein":[4,170],"structures":[5],"at":[6],"an":[7],"atomic":[8],"resolution":[9],"is":[10],"the":[11,35,88,107,113,159,167,199,205],"source":[12],"many":[14],"data":[15,59,72,84,99],"and":[16,43,55,70,81,93,100,112,124,193],"compute":[17,182],"intensive":[18],"challenges,":[19],"from":[20,138],"simulation,":[21],"to":[22,25,91,102,117,164,181],"image":[23],"processing,":[24],"model":[26],"building.":[27],"We":[28,86,150,197],"have":[29],"developed":[30],"a":[31,46,103,135,213],"general":[32],"platform":[33,62,203],"for":[34,68,76,122],"secure":[36],"deployment":[37],"structural":[39],"biology":[40],"computational":[41],"tasks":[42],"workflows":[44],"into":[45],"federated":[47],"grid":[48,66,136],"which":[49,157],"maximizes":[50],"robustness,":[51],"ease":[52],"use,":[54],"performance,":[56],"while":[57],"minimizing":[58],"movement.":[60],"This":[61,173],"leverages":[63],"several":[64],"existing":[65],"technologies":[67],"security":[69],"web-based":[71],"access,":[73],"adding":[74],"protocols":[75],"VO,":[77],"user,":[78],"task,":[79],"workflow,":[80],"individual":[82],"job":[83],"staging.":[85],"present":[87],"strategies":[89],"used":[90],"deploy":[92],"maintain":[94],"tens":[95,187],"GB":[97,189],"applications":[101],"significant":[104],"portion":[105],"US":[108],"Open":[109,216],"Science":[110,217],"Grid,":[111],"workflow":[114,174,210],"management":[115],"mechanisms":[116],"optimize":[118],"task":[119],"execution,":[120],"both":[121],"performance":[123],"correctness.":[125],"Significant":[126],"observations":[127],"are":[128],"made":[129],"about":[130],"real":[131],"operating":[132],"conditions":[133],"in":[134,211],"environment":[137],"automated":[139],"analysis":[140],"hundreds":[142],"thousands":[144],"jobs":[146],"over":[147],"extended":[148],"periods.":[149],"specifically":[151],"focus":[152],"on":[153],"one":[154],"novel":[155],"application":[156],"harnesses":[158],"capacity":[160],"national":[162],"cyberinfrastructure":[163],"dramatically":[165],"accelerate":[166],"process":[168],"structure":[171],"determination.":[172],"requires":[175],"20":[176],"-":[177],"50":[178],"thousand":[179],"hours":[180],"with":[183],"1e5":[184],"tasks,":[185],"requiring":[186],"input":[191],"data,":[192],"producing":[194],"commensurate":[195],"output.":[196],"demonstrate":[198],"success":[200],"our":[202],"through":[204],"successful":[206],"completion":[207],"this":[209],"half":[212],"day":[214],"using":[215],"Grid.":[218]},"counts_by_year":[{"year":2012,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}