{"id":"https://openalex.org/W7007704982","doi":null,"title":"Accelerating Protein-Protein Docking using a Graphics Processing Unit (GPU)","display_name":"Accelerating Protein-Protein Docking using a Graphics Processing Unit (GPU)","publication_year":2010,"publication_date":"2010-01-01","ids":{"openalex":"https://openalex.org/W7007704982"},"language":"en","primary_location":{"id":"pmh:oai:sedici.unlp.edu.ar:10915/152731","doi":null,"is_oa":true,"landing_page_url":"http://sedici.unlp.edu.ar/handle/10915/152731","pdf_url":null,"source":{"id":"https://openalex.org/S4306400803","display_name":"El Servicio de Difusi\u00f3n de la Creaci\u00f3n Intelectual (National University of La Plata)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I874386039","host_organization_name":"Universidad Nacional de La Plata","host_organization_lineage":["https://openalex.org/I874386039"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Objeto de conferencia"},"volume":null,"type":"conference-paper","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://sedici.unlp.edu.ar/handle/10915/152731","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5034366389","display_name":"Michael Jenik","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jenik, Michael","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005515166","display_name":"Esteban Mocskos","orcid":"https://orcid.org/0000-0002-6473-7672","observed_orcids":["https://orcid.org/0000-0002-6473-7672"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Mocskos, Esteban","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Roitberg, Adri\u00e1n E.","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Roitberg, Adri\u00e1n E.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5035789659","display_name":"Adrian Gustavo Turjanski","orcid":"https://orcid.org/0000-0003-2190-137X","observed_orcids":["https://orcid.org/0000-0003-2190-137X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Turjanski, Adri\u00e1n G.","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.53103741,"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":true,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9032999873161316,"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":0.9032999873161316,"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/T11162","display_name":"Enzyme Structure and Function","score":0.04019999876618385,"subfield":{"id":"https://openalex.org/subfields/1315","display_name":"Structural 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":0.01759999990463257,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/protein-protein-docking","display_name":"protein-protein docking","score":1.0},{"id":"https://openalex.org/keywords/gpu-acceleration","display_name":"GPU acceleration","score":0.8880000114440918},{"id":"https://openalex.org/keywords/surface-complementarity","display_name":"surface complementarity","score":0.9449999928474426},{"id":"https://openalex.org/keywords/protein-complex-prediction","display_name":"protein complex prediction","score":0.7910000085830688},{"id":"https://openalex.org/keywords/docking-scoring","display_name":"docking scoring","score":0.6050000190734863},{"id":"https://openalex.org/keywords/mesh-generation","display_name":"mesh generation","score":0.6320000290870667}],"concepts":[{"id":"https://openalex.org/C144251240","wikidata":"https://www.wikidata.org/wiki/Q7068229","display_name":"Nucleofection","level":4,"score":0.4196000099182129},{"id":"https://openalex.org/C2992336715","wikidata":"https://www.wikidata.org/wiki/Q63431143","display_name":"Gestational period","level":4,"score":0.3831000030040741},{"id":"https://openalex.org/C18743360","wikidata":"https://www.wikidata.org/wiki/Q1208096","display_name":"Diafiltration","level":4,"score":0.34869998693466187},{"id":"https://openalex.org/C145741570","wikidata":"https://www.wikidata.org/wiki/Q7251534","display_name":"Proteogenomics","level":5,"score":0.33410000801086426},{"id":"https://openalex.org/C133074676","wikidata":"https://www.wikidata.org/wiki/Q428729","display_name":"Fusible alloy","level":2,"score":0.32019999623298645},{"id":"https://openalex.org/C2778283623","wikidata":"https://www.wikidata.org/wiki/Q18032200","display_name":"TSG101","level":5,"score":0.3190000057220459},{"id":"https://openalex.org/C2777968768","wikidata":"https://www.wikidata.org/wiki/Q1280161","display_name":"Emperipolesis","level":4,"score":0.3073999881744385},{"id":"https://openalex.org/C2777158700","wikidata":"https://www.wikidata.org/wiki/Q1419356","display_name":"Hyporeflexia","level":3,"score":0.3068999946117401},{"id":"https://openalex.org/C180938184","wikidata":"https://www.wikidata.org/wiki/Q2142270","display_name":"Liquation","level":3,"score":0.3052000105381012},{"id":"https://openalex.org/C2777054765","wikidata":"https://www.wikidata.org/wiki/Q6402731","display_name":"Dysgeusia","level":3,"score":0.29649999737739563},{"id":"https://openalex.org/C2777935831","wikidata":"https://www.wikidata.org/wiki/Q3144949","display_name":"Hemopericardium","level":3,"score":0.29339998960494995},{"id":"https://openalex.org/C2778843634","wikidata":"https://www.wikidata.org/wiki/Q2013780","display_name":"Ocrelizumab","level":4,"score":0.2922999858856201},{"id":"https://openalex.org/C2781032047","wikidata":"https://www.wikidata.org/wiki/Q938793","display_name":"Articular cartilage damage","level":5,"score":0.2888999879360199},{"id":"https://openalex.org/C2779645999","wikidata":"https://www.wikidata.org/wiki/Q1858477","display_name":"Frugality","level":2,"score":0.2865999937057495},{"id":"https://openalex.org/C2776781215","wikidata":"https://www.wikidata.org/wiki/Q83253","display_name":"Triacetin","level":2,"score":0.2849000096321106},{"id":"https://openalex.org/C2776356786","wikidata":"https://www.wikidata.org/wiki/Q1048573","display_name":"Tubulopathy","level":3,"score":0.2840000092983246},{"id":"https://openalex.org/C135979968","wikidata":"https://www.wikidata.org/wiki/Q609809","display_name":"Protein isoform","level":5,"score":0.27489998936653137},{"id":"https://openalex.org/C2780904289","wikidata":"https://www.wikidata.org/wiki/Q426498","display_name":"Tantalum carbide","level":3,"score":0.2728999853134155},{"id":"https://openalex.org/C2777742743","wikidata":"https://www.wikidata.org/wiki/Q19904005","display_name":"Durvalumab","level":5,"score":0.2694000005722046},{"id":"https://openalex.org/C104545631","wikidata":"https://www.wikidata.org/wiki/Q464858","display_name":"Demotion","level":3,"score":0.258899986743927},{"id":"https://openalex.org/C2777738910","wikidata":"https://www.wikidata.org/wiki/Q3790542","display_name":"Sulfinpyrazone","level":3,"score":0.2574000060558319},{"id":"https://openalex.org/C2909186138","wikidata":"https://www.wikidata.org/wiki/Q1500373","display_name":"Hyperlactatemia","level":2,"score":0.25200000405311584}],"mesh":[],"locations_count":1,"locations":[{"id":"pmh:oai:sedici.unlp.edu.ar:10915/152731","doi":null,"is_oa":true,"landing_page_url":"http://sedici.unlp.edu.ar/handle/10915/152731","pdf_url":null,"source":{"id":"https://openalex.org/S4306400803","display_name":"El Servicio de Difusi\u00f3n de la Creaci\u00f3n Intelectual (National University of La Plata)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I874386039","host_organization_name":"Universidad Nacional de La Plata","host_organization_lineage":["https://openalex.org/I874386039"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Objeto de conferencia"}],"best_oa_location":{"id":"pmh:oai:sedici.unlp.edu.ar:10915/152731","doi":null,"is_oa":true,"landing_page_url":"http://sedici.unlp.edu.ar/handle/10915/152731","pdf_url":null,"source":{"id":"https://openalex.org/S4306400803","display_name":"El Servicio de Difusi\u00f3n de la Creaci\u00f3n Intelectual (National University of La Plata)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I874386039","host_organization_name":"Universidad Nacional de La Plata","host_organization_lineage":["https://openalex.org/I874386039"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Objeto de conferencia"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2103590153","https://openalex.org/W2171778773","https://openalex.org/W1999163345","https://openalex.org/W7144665946","https://openalex.org/W7100853709","https://openalex.org/W7100289148","https://openalex.org/W1995043066","https://openalex.org/W2980644595","https://openalex.org/W1547519124","https://openalex.org/W2147162963"],"abstract_inverted_index":{"Solving":[0],"the":[1,9,37,49,57],"structure":[2],"of":[3,8,31,52,87],"protein-protein":[4,60,89],"complexes":[5,33,54],"is":[6],"one":[7],"most":[10],"important":[11],"tasks":[12],"in":[13,23,36,41],"structural":[14],"biology.":[15],"Even":[16],"though":[17],"there":[18,26],"has":[19,63],"been":[20],"great":[21],"progress":[22],"recent":[24],"years":[25],"still":[27],"a":[28,66,88,101],"small":[29],"number":[30],"protein":[32,53],"structures":[34],"deposited":[35],"Protein":[38],"Data":[39],"Bank":[40],"comparison":[42],"to":[43,123],"isolated":[44],"partners.":[45],"In":[46],"this":[47],"sense,":[48],"computational":[50],"prediction":[51],"starting":[55],"from":[56],"unbound":[58],"structures,":[59],"Docking":[61],"algorithms,":[62],"emerged":[64],"as":[65,78],"reasonable":[67],"alternative.":[68],"Many":[69],"docking":[70,90],"programs":[71],"employ":[72],"Fast":[73],"Fourier":[74],"Transform":[75],"(FFT)":[76],"correlations":[77],"an":[79,85],"efficient":[80],"search":[81],"strategy.":[82],"We":[83,112],"describe":[84],"implementation":[86],"program":[91],"based":[92,130],"on":[93,100],"FFT":[94],"surface":[95],"complementarity":[96],"that":[97,118],"runs":[98],"entirely":[99],"Graphics":[102],"Processing":[103],"Unit":[104],"(GPU),":[105],"including":[106],"grid":[107],"generation,":[108],"rotation":[109],"and":[110,116],"scoring.":[111],"evaluate":[113],"its":[114],"performance,":[115],"show":[117],"it":[119],"can":[120],"be":[121],"up":[122],"13":[124],"times":[125],"faster":[126],"than":[127],"conventional":[128],"CPU":[129],"implementations.":[131]},"counts_by_year":[],"updated_date":"2026-10-13T10:08:12.033832","created_date":"2025-10-10T00:00:00"}