{"id":"https://openalex.org/W2031606408","doi":"https://doi.org/10.1145/2037509.2037523","title":"Accelerating multiple target drug screening on GPUs","display_name":"Accelerating multiple target drug screening on GPUs","publication_year":2011,"publication_date":"2011-09-21","ids":{"openalex":"https://openalex.org/W2031606408","doi":"https://doi.org/10.1145/2037509.2037523","mag":"2031606408"},"language":"en","primary_location":{"id":"doi:10.1145/2037509.2037523","is_oa":false,"landing_page_url":"https://doi.org/10.1145/2037509.2037523","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 9th International Conference on Computational Methods in Systems Biology","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/A5055671256","display_name":"Irene S\u00e1nchez-Linares","orcid":null},"institutions":[{"id":"https://openalex.org/I80180929","display_name":"Universidad de Murcia","ror":"https://ror.org/03p3aeb86","country_code":"ES","type":"education","lineage":["https://openalex.org/I80180929"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Irene S\u00e1nchez-Linares","raw_affiliation_strings":["University of Murcia, Murcia, Spain","University of Murcia, Murcia, (Spain)#TAB#"],"affiliations":[{"raw_affiliation_string":"University of Murcia, Murcia, Spain","institution_ids":["https://openalex.org/I80180929"]},{"raw_affiliation_string":"University of Murcia, Murcia, (Spain)#TAB#","institution_ids":["https://openalex.org/I80180929"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037673215","display_name":"Horacio P\u00e9rez\u2010S\u00e1nchez","orcid":"https://orcid.org/0000-0003-4468-7898"},"institutions":[{"id":"https://openalex.org/I80180929","display_name":"Universidad de Murcia","ror":"https://ror.org/03p3aeb86","country_code":"ES","type":"education","lineage":["https://openalex.org/I80180929"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Horacio P\u00e9rez-S\u00e1nchez","raw_affiliation_strings":["University of Murcia, Murcia, Spain","University of Murcia, Murcia, (Spain)#TAB#"],"affiliations":[{"raw_affiliation_string":"University of Murcia, Murcia, Spain","institution_ids":["https://openalex.org/I80180929"]},{"raw_affiliation_string":"University of Murcia, Murcia, (Spain)#TAB#","institution_ids":["https://openalex.org/I80180929"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078301255","display_name":"Gin\u00e9s D. Guerrero","orcid":null},"institutions":[{"id":"https://openalex.org/I80180929","display_name":"Universidad de Murcia","ror":"https://ror.org/03p3aeb86","country_code":"ES","type":"education","lineage":["https://openalex.org/I80180929"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Gin\u00e9s D. Guerrero","raw_affiliation_strings":["University of Murcia, Murcia, Spain","University of Murcia, Murcia, (Spain)#TAB#"],"affiliations":[{"raw_affiliation_string":"University of Murcia, Murcia, Spain","institution_ids":["https://openalex.org/I80180929"]},{"raw_affiliation_string":"University of Murcia, Murcia, (Spain)#TAB#","institution_ids":["https://openalex.org/I80180929"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088468258","display_name":"Jos\u00e9 M. Cecilia","orcid":"https://orcid.org/0000-0001-5648-214X"},"institutions":[{"id":"https://openalex.org/I80180929","display_name":"Universidad de Murcia","ror":"https://ror.org/03p3aeb86","country_code":"ES","type":"education","lineage":["https://openalex.org/I80180929"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Jos\u00e9 M. Cecilia","raw_affiliation_strings":["University of Murcia, Murcia, Spain","University of Murcia, Murcia, (Spain)#TAB#"],"affiliations":[{"raw_affiliation_string":"University of Murcia, Murcia, Spain","institution_ids":["https://openalex.org/I80180929"]},{"raw_affiliation_string":"University of Murcia, Murcia, (Spain)#TAB#","institution_ids":["https://openalex.org/I80180929"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5070286319","display_name":"Jos\u00e9 M. Garc\u0131\u0301a","orcid":"https://orcid.org/0000-0002-6388-2835"},"institutions":[{"id":"https://openalex.org/I80180929","display_name":"Universidad de Murcia","ror":"https://ror.org/03p3aeb86","country_code":"ES","type":"education","lineage":["https://openalex.org/I80180929"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Jos\u00e9 M. Garc\u00eda","raw_affiliation_strings":["University of Murcia, Murcia, Spain","University of Murcia, Murcia, (Spain)#TAB#"],"affiliations":[{"raw_affiliation_string":"University of Murcia, Murcia, Spain","institution_ids":["https://openalex.org/I80180929"]},{"raw_affiliation_string":"University of Murcia, Murcia, (Spain)#TAB#","institution_ids":["https://openalex.org/I80180929"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5055671256"],"corresponding_institution_ids":["https://openalex.org/I80180929"],"apc_list":null,"apc_paid":null,"fwci":0.9339,"has_fulltext":false,"cited_by_count":12,"citation_normalized_percentile":{"value":0.73376943,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":null,"issue":null,"first_page":"95","last_page":"102"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9997000098228455,"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"}},"topics":[{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9997000098228455,"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"}},{"id":"https://openalex.org/T12534","display_name":"Protein Degradation and Inhibitors","score":0.9988999962806702,"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"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9987000226974487,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"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":0.7928812503814697},{"id":"https://openalex.org/keywords/cuda","display_name":"CUDA","score":0.6956521272659302},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.6635473966598511},{"id":"https://openalex.org/keywords/massively-parallel","display_name":"Massively parallel","score":0.6170263886451721},{"id":"https://openalex.org/keywords/flexibility","display_name":"Flexibility (engineering)","score":0.522933840751648},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.49944210052490234},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.4848271608352661},{"id":"https://openalex.org/keywords/distributed-computing","display_name":"Distributed computing","score":0.3584774136543274},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.3054674565792084},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.09796765446662903}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7928812503814697},{"id":"https://openalex.org/C2778119891","wikidata":"https://www.wikidata.org/wiki/Q477690","display_name":"CUDA","level":2,"score":0.6956521272659302},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6635473966598511},{"id":"https://openalex.org/C190475519","wikidata":"https://www.wikidata.org/wiki/Q544384","display_name":"Massively parallel","level":2,"score":0.6170263886451721},{"id":"https://openalex.org/C2780598303","wikidata":"https://www.wikidata.org/wiki/Q65921492","display_name":"Flexibility (engineering)","level":2,"score":0.522933840751648},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.49944210052490234},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.4848271608352661},{"id":"https://openalex.org/C120314980","wikidata":"https://www.wikidata.org/wiki/Q180634","display_name":"Distributed computing","level":1,"score":0.3584774136543274},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.3054674565792084},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.09796765446662903},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"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/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"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/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","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":[],"locations_count":1,"locations":[{"id":"doi:10.1145/2037509.2037523","is_oa":false,"landing_page_url":"https://doi.org/10.1145/2037509.2037523","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 9th International Conference on Computational Methods in Systems Biology","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.699999988079071}],"awards":[{"id":"https://openalex.org/G3492288253","display_name":null,"funder_award_id":"Consolider Ingenio-2010 CSD2006-00046TIN2009-14475-C04-02","funder_id":"https://openalex.org/F4320321595","funder_display_name":"Federaci\u00f3n Espa\u00f1ola de Enfermedades Raras"}],"funders":[{"id":"https://openalex.org/F4320310087","display_name":"Fundaci\u00f3n S\u00e9neca","ror":"https://ror.org/03q68pf65"},{"id":"https://openalex.org/F4320320300","display_name":"European Commission","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320321595","display_name":"Federaci\u00f3n Espa\u00f1ola de Enfermedades Raras","ror":"https://ror.org/0348bpk17"},{"id":"https://openalex.org/F4320321837","display_name":"Ministerio de Econom\u00eda y Competitividad","ror":"https://ror.org/034900433"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":24,"referenced_works":["https://openalex.org/W77482329","https://openalex.org/W289522783","https://openalex.org/W1972462700","https://openalex.org/W1990170222","https://openalex.org/W1994778680","https://openalex.org/W1997980444","https://openalex.org/W2012969549","https://openalex.org/W2031264911","https://openalex.org/W2051381895","https://openalex.org/W2081047372","https://openalex.org/W2089478756","https://openalex.org/W2126099392","https://openalex.org/W2130479394","https://openalex.org/W2136513242","https://openalex.org/W2144433126","https://openalex.org/W2150871235","https://openalex.org/W2151373045","https://openalex.org/W2154139219","https://openalex.org/W2159497832","https://openalex.org/W2160205549","https://openalex.org/W2162428199","https://openalex.org/W2171234651","https://openalex.org/W2317915098","https://openalex.org/W4248327003"],"related_works":["https://openalex.org/W3213381848","https://openalex.org/W2005148983","https://openalex.org/W2017587301","https://openalex.org/W2012954338","https://openalex.org/W2096672917","https://openalex.org/W2392023973","https://openalex.org/W2939411666","https://openalex.org/W1973046741","https://openalex.org/W2023839151","https://openalex.org/W1774183074"],"abstract_inverted_index":{"The":[0,25],"completion":[1],"of":[2,20,27,90,116],"the":[3,18,35,73,104],"human":[4,21],"genome":[5],"project":[6],"has":[7,99],"brought":[8],"new":[9,127],"and":[10,56,88],"still":[11,92],"unprocessed":[12],"information":[13],"about":[14],"potential":[15],"targets":[16],"for":[17,50,78],"treatment":[19],"diseases":[22],"with":[23,37,94],"drugs.":[24],"efficacy":[26],"a":[28,120,126],"drug":[29],"can":[30,62,135],"be":[31,46],"vastly":[32],"improved":[33],"through":[34],"interaction":[36],"multiple":[38,79],"targets,":[39],"although":[40],"undesirable":[41],"side":[42],"effects":[43],"must":[44],"also":[45],"studied.":[47],"Experimental":[48],"approaches":[49,61,77],"this":[51,141],"purpose":[52],"are":[53],"very":[54,121],"expensive":[55],"time":[57,122],"consuming,":[58],"while":[59],"in-silico":[60,76],"efficiently":[63,109],"propose":[64],"accurate":[65],"predictions":[66],"that":[67,103],"drastically":[68],"reduce":[69],"testing":[70],"procedures":[71],"in":[72],"laboratory.":[74],"Nevertheless,":[75],"target":[80,117],"identification":[81],"have":[82],"not":[83],"been":[84,100],"yet":[85],"fully":[86],"explored":[87],"most":[89],"them":[91],"deal":[93],"rigid":[95],"receptor":[96],"models.":[97],"It":[98],"shown":[101],"recently":[102],"docking":[105],"program":[106],"FlexScreen":[107,146],"includes":[108],"protein":[110],"flexibility.":[111],"However,":[112],"processing":[113],"large":[114],"databases":[115],"proteins":[118],"is":[119],"consuming":[123],"process.":[124],"In":[125,140],"optimization":[128],"approach,":[129],"massively":[130],"parallel":[131],"architectures":[132],"like":[133],"GPUs":[134],"greatly":[136],"overcome":[137],"these":[138],"limitations.":[139],"study":[142],"we":[143],"report":[144],"our":[145],"parallelization":[147],"efforts":[148],"using":[149],"CUDA.":[150]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":3},{"year":2012,"cited_by_count":2}],"updated_date":"2026-04-17T18:11:37.981687","created_date":"2025-10-10T00:00:00"}
