{"id":"https://openalex.org/W3097411994","doi":"https://doi.org/10.1109/mcse.2020.3036540","title":"Supercomputing Pipelines Search for Therapeutics Against COVID-19","display_name":"Supercomputing Pipelines Search for Therapeutics Against COVID-19","publication_year":2020,"publication_date":"2020-11-06","ids":{"openalex":"https://openalex.org/W3097411994","doi":"https://doi.org/10.1109/mcse.2020.3036540","mag":"3097411994","pmid":"https://pubmed.ncbi.nlm.nih.gov/35939280"},"language":"en","primary_location":{"id":"doi:10.1109/mcse.2020.3036540","is_oa":false,"landing_page_url":"https://doi.org/10.1109/mcse.2020.3036540","pdf_url":null,"source":{"id":"https://openalex.org/S107923245","display_name":"Computing in Science & Engineering","issn_l":"1521-9615","issn":["1521-9615","1558-366X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320061","host_organization_name":"AIP Publishing","host_organization_lineage":["https://openalex.org/P4310320061","https://openalex.org/P4310320257"],"host_organization_lineage_names":["AIP Publishing","American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computing in Science &amp; Engineering","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.osti.gov/servlets/purl/1771888","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5011336390","display_name":"Josh V. Vermaas","orcid":"https://orcid.org/0000-0003-3139-6469"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Josh Vincent Vermaas","raw_affiliation_strings":["Oak Ridge National Laboratory, Oak Ridge, TN, USA"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Oak Ridge, TN, USA","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060608335","display_name":"Ada Sedova","orcid":"https://orcid.org/0000-0002-8233-3057"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ada Sedova","raw_affiliation_strings":["Oak Ridge National Laboratory, Oak Ridge, TN, USA"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Oak Ridge, TN, USA","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074911428","display_name":"Matthew Baker","orcid":"https://orcid.org/0000-0002-7449-8740"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Matthew B. Baker","raw_affiliation_strings":["Oak Ridge National Laboratory, Oak Ridge, TN, USA"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Oak Ridge, TN, USA","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012850684","display_name":"Swen Boehm","orcid":"https://orcid.org/0000-0003-2902-4906"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Swen Boehm","raw_affiliation_strings":["Oak Ridge National Laboratory, Oak Ridge, TN, USA"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Oak Ridge, TN, USA","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012560979","display_name":"David Rogers","orcid":"https://orcid.org/0000-0002-5187-1768"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"David M. Rogers","raw_affiliation_strings":["Oak Ridge National Laboratory, Oak Ridge, TN, USA"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Oak Ridge, TN, USA","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003788134","display_name":"Jeff Larkin","orcid":null},"institutions":[{"id":"https://openalex.org/I4210127875","display_name":"Nvidia (United States)","ror":"https://ror.org/03jdj4y14","country_code":"US","type":"company","lineage":["https://openalex.org/I4210127875"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jeff Larkin","raw_affiliation_strings":["NVIDIA Corporation, Santa Clara, CA, USA"],"affiliations":[{"raw_affiliation_string":"NVIDIA Corporation, Santa Clara, CA, USA","institution_ids":["https://openalex.org/I4210127875"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023856625","display_name":"Jens Gl\u00e4ser","orcid":"https://orcid.org/0000-0003-1852-3849"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jens Glaser","raw_affiliation_strings":["Oak Ridge National Laboratory, Oak Ridge, TN, USA"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Oak Ridge, TN, USA","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Micholas D. Smith","orcid":"https://orcid.org/0000-0002-2978-3227"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]},{"id":"https://openalex.org/I75027704","display_name":"University of Tennessee at Knoxville","ror":"https://ror.org/020f3ap87","country_code":"US","type":"education","lineage":["https://openalex.org/I75027704"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Micholas D. Smith","raw_affiliation_strings":["Oak Ridge National Laboratory, Oak Ridge, TN, USA","University of Tennessee Knoxville, TN, USA"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Oak Ridge, TN, USA","institution_ids":["https://openalex.org/I1289243028"]},{"raw_affiliation_string":"University of Tennessee Knoxville, TN, USA","institution_ids":["https://openalex.org/I75027704"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071822072","display_name":"\u00d3scar Hern\u00e1ndez","orcid":"https://orcid.org/0000-0002-5380-6951"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Oscar Hernandez","raw_affiliation_strings":["Oak Ridge National Laboratory, Oak Ridge, TN, USA"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Oak Ridge, TN, USA","institution_ids":["https://openalex.org/I1289243028"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5018366869","display_name":"Jeremy C. Smith","orcid":"https://orcid.org/0000-0002-2978-3227"},"institutions":[{"id":"https://openalex.org/I1289243028","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56","country_code":"US","type":"facility","lineage":["https://openalex.org/I1289243028","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I4210159294"]},{"id":"https://openalex.org/I75027704","display_name":"University of Tennessee at Knoxville","ror":"https://ror.org/020f3ap87","country_code":"US","type":"education","lineage":["https://openalex.org/I75027704"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jeremy C. Smith","raw_affiliation_strings":["Oak Ridge National Laboratory, Oak Ridge, TN, USA","University of Tennessee Knoxville, TN, USA"],"affiliations":[{"raw_affiliation_string":"Oak Ridge National Laboratory, Oak Ridge, TN, USA","institution_ids":["https://openalex.org/I1289243028"]},{"raw_affiliation_string":"University of Tennessee Knoxville, TN, USA","institution_ids":["https://openalex.org/I75027704"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":10,"corresponding_author_ids":["https://openalex.org/A5011336390"],"corresponding_institution_ids":["https://openalex.org/I1289243028"],"apc_list":null,"apc_paid":null,"fwci":2.6013,"has_fulltext":true,"cited_by_count":30,"citation_normalized_percentile":{"value":0.92008776,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"23","issue":"1","first_page":"7","last_page":"16"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9718999862670898,"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/T13937","display_name":"Genetics, Bioinformatics, and Biomedical Research","score":0.9577000141143799,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/supercomputer","display_name":"Supercomputer","score":0.9027765393257141},{"id":"https://openalex.org/keywords/oak-ridge-national-laboratory","display_name":"Oak Ridge National Laboratory","score":0.7051689624786377},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6818796396255493},{"id":"https://openalex.org/keywords/pipeline","display_name":"Pipeline (software)","score":0.6558071374893188},{"id":"https://openalex.org/keywords/summit","display_name":"Summit","score":0.5953202247619629},{"id":"https://openalex.org/keywords/coronavirus-disease-2019","display_name":"Coronavirus disease 2019 (COVID-19)","score":0.5473898649215698},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.5293798446655273},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5215387344360352},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.5000638961791992},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.48992079496383667},{"id":"https://openalex.org/keywords/pandemic","display_name":"Pandemic","score":0.45340555906295776},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.4375782310962677},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.3496667742729187},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.31797903776168823},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.2846880555152893},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.21554693579673767},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.1588144302368164},{"id":"https://openalex.org/keywords/disease","display_name":"Disease","score":0.1059720516204834},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.08835649490356445},{"id":"https://openalex.org/keywords/infectious-disease","display_name":"Infectious disease (medical specialty)","score":0.08586516976356506}],"concepts":[{"id":"https://openalex.org/C83283714","wikidata":"https://www.wikidata.org/wiki/Q121117","display_name":"Supercomputer","level":2,"score":0.9027765393257141},{"id":"https://openalex.org/C2775907726","wikidata":"https://www.wikidata.org/wiki/Q714439","display_name":"Oak Ridge National Laboratory","level":2,"score":0.7051689624786377},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6818796396255493},{"id":"https://openalex.org/C43521106","wikidata":"https://www.wikidata.org/wiki/Q2165493","display_name":"Pipeline (software)","level":2,"score":0.6558071374893188},{"id":"https://openalex.org/C2778848561","wikidata":"https://www.wikidata.org/wiki/Q207326","display_name":"Summit","level":2,"score":0.5953202247619629},{"id":"https://openalex.org/C3008058167","wikidata":"https://www.wikidata.org/wiki/Q84263196","display_name":"Coronavirus disease 2019 (COVID-19)","level":4,"score":0.5473898649215698},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.5293798446655273},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5215387344360352},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.5000638961791992},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.48992079496383667},{"id":"https://openalex.org/C89623803","wikidata":"https://www.wikidata.org/wiki/Q12184","display_name":"Pandemic","level":5,"score":0.45340555906295776},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.4375782310962677},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3496667742729187},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.31797903776168823},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2846880555152893},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.21554693579673767},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.1588144302368164},{"id":"https://openalex.org/C2779134260","wikidata":"https://www.wikidata.org/wiki/Q12136","display_name":"Disease","level":2,"score":0.1059720516204834},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.08835649490356445},{"id":"https://openalex.org/C524204448","wikidata":"https://www.wikidata.org/wiki/Q788926","display_name":"Infectious disease (medical specialty)","level":3,"score":0.08586516976356506},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0},{"id":"https://openalex.org/C100970517","wikidata":"https://www.wikidata.org/wiki/Q52107","display_name":"Physical geography","level":1,"score":0.0},{"id":"https://openalex.org/C185544564","wikidata":"https://www.wikidata.org/wiki/Q81197","display_name":"Nuclear physics","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C205649164","wikidata":"https://www.wikidata.org/wiki/Q1071","display_name":"Geography","level":0,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1109/mcse.2020.3036540","is_oa":false,"landing_page_url":"https://doi.org/10.1109/mcse.2020.3036540","pdf_url":null,"source":{"id":"https://openalex.org/S107923245","display_name":"Computing in Science & Engineering","issn_l":"1521-9615","issn":["1521-9615","1558-366X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320061","host_organization_name":"AIP Publishing","host_organization_lineage":["https://openalex.org/P4310320061","https://openalex.org/P4310320257"],"host_organization_lineage_names":["AIP Publishing","American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computing in Science &amp; Engineering","raw_type":"journal-article"},{"id":"pmid:35939280","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35939280","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":"Computing in science & engineering","raw_type":null},{"id":"pmh:oai:osti.gov:1771888","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1771888","pdf_url":"https://www.osti.gov/servlets/purl/1771888","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"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":null},{"id":"pmh:oai:pubmedcentral.nih.gov:9280802","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9280802","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Comput Sci Eng","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:osti.gov:1771888","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1771888","pdf_url":"https://www.osti.gov/servlets/purl/1771888","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"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":null},"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.8199999928474426,"id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G1104325616","display_name":null,"funder_award_id":"COVID-19","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G1489425746","display_name":null,"funder_award_id":"DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G1645119126","display_name":null,"funder_award_id":"AC05-00OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G1719536385","display_name":null,"funder_award_id":"DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G2042897603","display_name":null,"funder_award_id":"DE-AC05-00OR2272","funder_id":"https://openalex.org/F4320316892","funder_display_name":"UT-Battelle"},{"id":"https://openalex.org/G2296932962","display_name":null,"funder_award_id":"DE-AC05-00OR227","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G3299391273","display_name":null,"funder_award_id":"E-AC05-00OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G3548842975","display_name":null,"funder_award_id":"Contract DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320316892","funder_display_name":"UT-Battelle"},{"id":"https://openalex.org/G362975299","display_name":null,"funder_award_id":"DE-AC05-00OR22725.","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G4423657506","display_name":null,"funder_award_id":"AC05-00OR22725","funder_id":"https://openalex.org/F4320338287","funder_display_name":"Oak Ridge National Laboratory"},{"id":"https://openalex.org/G4694431782","display_name":null,"funder_award_id":"DE-AC05-00OR2272","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G5726405315","display_name":null,"funder_award_id":"DE-AC05","funder_id":"https://openalex.org/F4320306250","funder_display_name":"Battelle"},{"id":"https://openalex.org/G574648691","display_name":null,"funder_award_id":"DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320337547","funder_display_name":"Laboratory Directed Research and Development"},{"id":"https://openalex.org/G6129992089","display_name":null,"funder_award_id":"DE-AC05-","funder_id":"https://openalex.org/F4320316892","funder_display_name":"UT-Battelle"},{"id":"https://openalex.org/G6488227018","display_name":null,"funder_award_id":"DE-AC05-00OR227","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G6864165199","display_name":null,"funder_award_id":"DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320306250","funder_display_name":"Battelle"},{"id":"https://openalex.org/G691578896","display_name":null,"funder_award_id":"DE-AC05-00OR2272","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G7114708214","display_name":null,"funder_award_id":"DE-AC05-00OR2272","funder_id":"https://openalex.org/F4320338287","funder_display_name":"Oak Ridge National Laboratory"},{"id":"https://openalex.org/G7186599013","display_name":null,"funder_award_id":"under Contract DE-AC05-00OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G7995982022","display_name":null,"funder_award_id":"DE-AC05","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G8269158468","display_name":null,"funder_award_id":"AC05-00OR22725","funder_id":"https://openalex.org/F4320332359","funder_display_name":"Office of Science"},{"id":"https://openalex.org/G8336963773","display_name":null,"funder_award_id":"DE-AC05-00OR22725.","funder_id":"https://openalex.org/F4320338287","funder_display_name":"Oak Ridge National Laboratory"},{"id":"https://openalex.org/G8414908677","display_name":null,"funder_award_id":"DE-AC0","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G8799952057","display_name":null,"funder_award_id":"DE-AC05-00OR22","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G8906985441","display_name":null,"funder_award_id":"00OR22725","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G8943143067","display_name":null,"funder_award_id":"AC05-00OR22725","funder_id":"https://openalex.org/F4320316892","funder_display_name":"UT-Battelle"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320306250","display_name":"Battelle","ror":"https://ror.org/01h5tnr73"},{"id":"https://openalex.org/F4320309480","display_name":"Nvidia","ror":"https://ror.org/03jdj4y14"},{"id":"https://openalex.org/F4320316892","display_name":"UT-Battelle","ror":"https://ror.org/04nza6677"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320337547","display_name":"Laboratory Directed Research and Development","ror":"https://ror.org/01e41cf67"},{"id":"https://openalex.org/F4320338287","display_name":"Oak Ridge National Laboratory","ror":"https://ror.org/01qz5mb56"}],"has_content":{"pdf":true,"grobid_xml":false},"content_urls":{"pdf":"https://content.openalex.org/works/W3097411994.pdf"},"referenced_works_count":15,"referenced_works":["https://openalex.org/W1582926274","https://openalex.org/W1798528872","https://openalex.org/W1995089537","https://openalex.org/W2105668062","https://openalex.org/W2578119541","https://openalex.org/W2912171584","https://openalex.org/W2961010564","https://openalex.org/W2971727502","https://openalex.org/W2983577496","https://openalex.org/W3009970748","https://openalex.org/W3090070911","https://openalex.org/W3103608420","https://openalex.org/W3113182646","https://openalex.org/W4288079730","https://openalex.org/W6783397760"],"related_works":["https://openalex.org/W1982074779","https://openalex.org/W3203904831","https://openalex.org/W4241376597","https://openalex.org/W2326230513","https://openalex.org/W3185720802","https://openalex.org/W4232045916","https://openalex.org/W2083843551","https://openalex.org/W2072444571","https://openalex.org/W4318472429","https://openalex.org/W1973079533"],"abstract_inverted_index":{"The":[0,14],"urgent":[1],"search":[2,35],"for":[3,27,77,94],"drugs":[4,42,109],"to":[5,34,63,90,97,110],"combat":[6,111],"SARS-CoV-2":[7],"has":[8,31],"included":[9],"the":[10,36,55,78,105,112],"use":[11,15],"of":[12,16,40,81,83,107],"supercomputers.":[13],"general-purpose":[17],"graphical":[18],"processing":[19],"units":[20],"(GPUs),":[21],"massive":[22],"parallelism,":[23],"and":[24,75,116],"new":[25,50,69],"software":[26],"high-performance":[28],"computing":[29],"(HPC)":[30],"allowed":[32],"researchers":[33],"vast":[37],"chemical":[38],"space":[39],"potential":[41,84],"faster":[43],"than":[44],"ever":[45],"before.":[46],"We":[47],"developed":[48],"a":[49],"drug":[51,85],"discovery":[52],"pipeline":[53],"using":[54],"Summit":[56],"supercomputer":[57],"at":[58],"Oak":[59],"Ridge":[60],"National":[61],"Laboratory":[62],"help":[64],"pioneer":[65],"this":[66],"effort,":[67],"with":[68],"platforms":[70],"that":[71],"incorporate":[72],"GPU-accelerated":[73],"simulation":[74],"allow":[76],"virtual":[79],"screening":[80],"billions":[82],"compounds":[86],"in":[87],"days":[88],"compared":[89],"weeks":[91],"or":[92],"months":[93],"their":[95],"ability":[96],"inhibit":[98],"SARS-COV-2":[99],"proteins.":[100],"This":[101],"effort":[102],"will":[103],"accelerate":[104],"process":[106],"developing":[108],"current":[113],"COVID-19":[114],"pandemic":[115],"other":[117],"diseases.":[118]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":7},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":8},{"year":2020,"cited_by_count":1}],"updated_date":"2026-04-16T08:26:57.006410","created_date":"2020-11-09T00:00:00"}
