{"id":"https://openalex.org/W2728250730","doi":"https://doi.org/10.1145/3093338.3104154","title":"Utilizing Computational Techniques to Accelerate Discovery in Peanut Allergenicity","display_name":"Utilizing Computational Techniques to Accelerate Discovery in Peanut Allergenicity","publication_year":2017,"publication_date":"2017-07-05","ids":{"openalex":"https://openalex.org/W2728250730","doi":"https://doi.org/10.1145/3093338.3104154","mag":"2728250730"},"language":"en","primary_location":{"id":"doi:10.1145/3093338.3104154","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3093338.3104154","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Practice and Experience in Advanced Research Computing 2017: Sustainability, Success and Impact","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/A5040105991","display_name":"Louis Hollingsworth","orcid":"https://orcid.org/0000-0002-4130-3580"},"institutions":[{"id":"https://openalex.org/I859038795","display_name":"Virginia Tech","ror":"https://ror.org/02smfhw86","country_code":"US","type":"education","lineage":["https://openalex.org/I859038795"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"L. R. Hollingsworth","raw_affiliation_strings":["Virginia Tech, Blacksburg, VA"],"affiliations":[{"raw_affiliation_string":"Virginia Tech, Blacksburg, VA","institution_ids":["https://openalex.org/I859038795"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081565182","display_name":"Anne M. Brown","orcid":"https://orcid.org/0000-0001-6951-8228"},"institutions":[{"id":"https://openalex.org/I859038795","display_name":"Virginia Tech","ror":"https://ror.org/02smfhw86","country_code":"US","type":"education","lineage":["https://openalex.org/I859038795"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"A. M. Brown","raw_affiliation_strings":["Virginia Tech, Blacksburg, VA"],"affiliations":[{"raw_affiliation_string":"Virginia Tech, Blacksburg, VA","institution_ids":["https://openalex.org/I859038795"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5049055647","display_name":"David R. Bevan","orcid":"https://orcid.org/0000-0001-9974-1105"},"institutions":[{"id":"https://openalex.org/I859038795","display_name":"Virginia Tech","ror":"https://ror.org/02smfhw86","country_code":"US","type":"education","lineage":["https://openalex.org/I859038795"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"D. R. Bevan","raw_affiliation_strings":["Virginia Tech, Blacksburg, VA"],"affiliations":[{"raw_affiliation_string":"Virginia Tech, Blacksburg, VA","institution_ids":["https://openalex.org/I859038795"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5040105991"],"corresponding_institution_ids":["https://openalex.org/I859038795"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.08387637,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"4"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12856","display_name":"Transgenic Plants and Applications","score":0.9987999796867371,"subfield":{"id":"https://openalex.org/subfields/1305","display_name":"Biotechnology"},"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/T12856","display_name":"Transgenic Plants and Applications","score":0.9987999796867371,"subfield":{"id":"https://openalex.org/subfields/1305","display_name":"Biotechnology"},"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/T10634","display_name":"Food Allergy and Anaphylaxis Research","score":0.9983999729156494,"subfield":{"id":"https://openalex.org/subfields/2723","display_name":"Immunology and Allergy"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10494","display_name":"Plant Virus Research Studies","score":0.9951000213623047,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.698146402835846},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.580151379108429},{"id":"https://openalex.org/keywords/function","display_name":"Function (biology)","score":0.5228897929191589},{"id":"https://openalex.org/keywords/scalability","display_name":"Scalability","score":0.4446839392185211},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.42954784631729126},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.4205431342124939},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.24749243259429932},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.18326950073242188},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.17119956016540527}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.698146402835846},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.580151379108429},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.5228897929191589},{"id":"https://openalex.org/C48044578","wikidata":"https://www.wikidata.org/wiki/Q727490","display_name":"Scalability","level":2,"score":0.4446839392185211},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.42954784631729126},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.4205431342124939},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.24749243259429932},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.18326950073242188},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.17119956016540527},{"id":"https://openalex.org/C78458016","wikidata":"https://www.wikidata.org/wiki/Q840400","display_name":"Evolutionary biology","level":1,"score":0.0},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3093338.3104154","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3093338.3104154","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Practice and Experience in Advanced Research Computing 2017: Sustainability, Success and Impact","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":32,"referenced_works":["https://openalex.org/W1895692106","https://openalex.org/W1966078827","https://openalex.org/W1976203248","https://openalex.org/W1976499671","https://openalex.org/W1988410999","https://openalex.org/W1992192767","https://openalex.org/W2029377282","https://openalex.org/W2035266068","https://openalex.org/W2035687084","https://openalex.org/W2049902088","https://openalex.org/W2059013803","https://openalex.org/W2063123250","https://openalex.org/W2065504830","https://openalex.org/W2067174909","https://openalex.org/W2074986801","https://openalex.org/W2081693079","https://openalex.org/W2106154817","https://openalex.org/W2108757802","https://openalex.org/W2118233996","https://openalex.org/W2130479394","https://openalex.org/W2132262459","https://openalex.org/W2150981663","https://openalex.org/W2152301430","https://openalex.org/W2153228625","https://openalex.org/W2159614853","https://openalex.org/W2165779834","https://openalex.org/W2335891899","https://openalex.org/W2470452688","https://openalex.org/W2555870966","https://openalex.org/W3103156673","https://openalex.org/W4210950389","https://openalex.org/W4246447715"],"related_works":["https://openalex.org/W2389214306","https://openalex.org/W4235240664","https://openalex.org/W2965083567","https://openalex.org/W1838576100","https://openalex.org/W2095886385","https://openalex.org/W2889616422","https://openalex.org/W2089704382","https://openalex.org/W1983399550","https://openalex.org/W97075385","https://openalex.org/W2088034942"],"abstract_inverted_index":{"Computational":[0],"tools":[1,186],"and":[2,10,14,19,34,65,77,84,90,130,145,156,167,182,213],"techniques":[3],"are":[4,15],"attractive":[5],"due":[6],"to":[7,51,62,68,87,126,135,187],"the":[8,27,35,79,99,105,116,143,149,163,207],"low-cost":[9],"scope":[11],"of":[12,24,29,38,81,108,115,148,165,169,202,209],"application":[13],"becoming":[16],"more":[17],"prevalent":[18],"accepted":[20],"across":[21],"a":[22,47],"variety":[23],"fields.":[25],"With":[26],"advancement":[28],"high":[30,210],"performance":[31,211],"computing":[32,178,212],"resources":[33],"recent":[36],"utility":[37],"GPU":[39,216],"architecture,":[40],"molecular":[41,140],"dynamics":[42,129],"(MD)":[43],"simulations":[44,97,138,190],"have":[45,196,214],"become":[46],"nearly":[48],"ubiquitous":[49],"tool":[50],"interrogate":[52],"protein":[53,63,101,203],"structure-function":[54,58,204],"relationships.":[55],"Understanding":[56],"these":[57,153,176],"relationships":[59,205],"is":[60],"fundamental":[61],"biochemistry":[64],"facilitates":[66],"avenues":[67],"modulate":[69],"activity":[70],"in":[71,121],"disease":[72,170],"states.":[73,171],"Herein,":[74],"we":[75],"studied":[76],"compared":[78],"ability":[80],"several":[82],"GPU-":[83],"CPU-based":[85],"clusters":[86],"accelerate":[88],"mechanistic":[89],"therapeutic":[91],"discovery":[92],"with":[93,185,219],"MD":[94,96,189,220],"simulations.":[95,221],"on":[98],"peanut":[100,109],"Ara":[102],"h":[103],"2,":[104],"causative":[106],"agent":[107],"allergenicity,":[110],"from":[111],"10":[112],"different":[113],"species":[114],"genus":[117],"Arachis":[118],"were":[119],"conducted":[120],"triplicate":[122],"for":[123],"1":[124],"\u03bcs":[125],"probe":[127],"structural":[128],"epitope":[131],"solvent":[132],"accessibility":[133],"relevant":[134],"allergenicity.":[136],"These":[137],"provide":[139],"insight":[141],"into":[142,175],"causes":[144],"potential":[146],"potency":[147],"allergenic":[150],"response.":[151],"Ultimately,":[152],"computational":[154],"findings":[155],"insights":[157],"can":[158],"guide":[159],"experimental":[160],"design,":[161],"increasing":[162],"impact":[164],"therapeutics":[166],"understanding":[168,201],"Further,":[172],"integrating":[173],"GPUs":[174],"parallel":[177],"operations":[179],"accelerates":[180],"computations":[181],"provides":[183],"researchers":[184],"perform":[188],"without":[191],"large":[192],"CPU":[193],"centers.":[194],"We":[195],"thus":[197],"provided":[198],"an":[199],"increased":[200],"through":[206],"usage":[208],"shown":[215],"scaling":[217],"power":[218]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}