{"id":"https://openalex.org/W2085693795","doi":"https://doi.org/10.1002/(sici)1096-987x(199603)17:4<469::aid-jcc7>3.0.co;2-s","title":"Molecular dynamics for proteins: Performance evaluation on massively parallel computers based on mesh networks using a space decomposition approach","display_name":"Molecular dynamics for proteins: Performance evaluation on massively parallel computers based on mesh networks using a space decomposition approach","publication_year":1996,"publication_date":"1996-03-01","ids":{"openalex":"https://openalex.org/W2085693795","doi":"https://doi.org/10.1002/(sici)1096-987x(199603)17:4<469::aid-jcc7>3.0.co;2-s","mag":"2085693795"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(199603)17:4<469::aid-jcc7>3.0.co;2-s","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199603)17:4<469::aid-jcc7>3.0.co;2-s","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-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/A5087604974","display_name":"P. Ballestrero","orcid":null},"institutions":[{"id":"https://openalex.org/I83816512","display_name":"University of Genoa","ror":"https://ror.org/0107c5v14","country_code":"IT","type":"education","lineage":["https://openalex.org/I83816512"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"P. Ballestrero","raw_affiliation_strings":["Department of Communication, Computer, and Systems Sciences, University of Genoa, Via Opera Pia, 13, I 16145 Genoa, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Communication, Computer, and Systems Sciences, University of Genoa, Via Opera Pia, 13, I 16145 Genoa, Italy","institution_ids":["https://openalex.org/I83816512"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064854371","display_name":"Pierpaolo Baglietto","orcid":"https://orcid.org/0000-0003-4467-5424"},"institutions":[{"id":"https://openalex.org/I83816512","display_name":"University of Genoa","ror":"https://ror.org/0107c5v14","country_code":"IT","type":"education","lineage":["https://openalex.org/I83816512"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"P. Baglietto","raw_affiliation_strings":["Department of Communication, Computer, and Systems Sciences, University of Genoa, Via Opera Pia, 13, I 16145 Genoa, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Communication, Computer, and Systems Sciences, University of Genoa, Via Opera Pia, 13, I 16145 Genoa, Italy","institution_ids":["https://openalex.org/I83816512"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5085819975","display_name":"C. Ruggiero","orcid":"https://orcid.org/0000-0002-5275-2074"},"institutions":[{"id":"https://openalex.org/I83816512","display_name":"University of Genoa","ror":"https://ror.org/0107c5v14","country_code":"IT","type":"education","lineage":["https://openalex.org/I83816512"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"C. Ruggiero","raw_affiliation_strings":["Department of Communication, Computer, and Systems Sciences, University of Genoa, Via Opera Pia, 13, I 16145 Genoa, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Communication, Computer, and Systems Sciences, University of Genoa, Via Opera Pia, 13, I 16145 Genoa, Italy","institution_ids":["https://openalex.org/I83816512"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5087604974"],"corresponding_institution_ids":["https://openalex.org/I83816512"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":0.4017,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.69188895,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"17","issue":"4","first_page":"469","last_page":"475"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10054","display_name":"Parallel Computing and Optimization Techniques","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/1708","display_name":"Hardware and Architecture"},"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/T10054","display_name":"Parallel Computing and Optimization Techniques","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/1708","display_name":"Hardware and Architecture"},"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/T10829","display_name":"Interconnection Networks and Systems","score":0.9958000183105469,"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/T11247","display_name":"Plant nutrient uptake and metabolism","score":0.9944000244140625,"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/granularity","display_name":"Granularity","score":0.8762468695640564},{"id":"https://openalex.org/keywords/massively-parallel","display_name":"Massively parallel","score":0.8158528804779053},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7932978868484497},{"id":"https://openalex.org/keywords/decomposition","display_name":"Decomposition","score":0.6936095952987671},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.6474205851554871},{"id":"https://openalex.org/keywords/computation","display_name":"Computation","score":0.6132609844207764},{"id":"https://openalex.org/keywords/space","display_name":"Space (punctuation)","score":0.467255562543869},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.43123891949653625},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.27995747327804565},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.11671432852745056}],"concepts":[{"id":"https://openalex.org/C177774035","wikidata":"https://www.wikidata.org/wiki/Q1246948","display_name":"Granularity","level":2,"score":0.8762468695640564},{"id":"https://openalex.org/C190475519","wikidata":"https://www.wikidata.org/wiki/Q544384","display_name":"Massively parallel","level":2,"score":0.8158528804779053},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7932978868484497},{"id":"https://openalex.org/C124681953","wikidata":"https://www.wikidata.org/wiki/Q339062","display_name":"Decomposition","level":2,"score":0.6936095952987671},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.6474205851554871},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.6132609844207764},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.467255562543869},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.43123891949653625},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.27995747327804565},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.11671432852745056},{"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/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(199603)17:4<469::aid-jcc7>3.0.co;2-s","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199603)17:4<469::aid-jcc7>3.0.co;2-s","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation","score":0.7799999713897705}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":14,"referenced_works":["https://openalex.org/W1547623105","https://openalex.org/W1966553486","https://openalex.org/W2020462241","https://openalex.org/W2041669624","https://openalex.org/W2041902442","https://openalex.org/W2046033652","https://openalex.org/W2053943904","https://openalex.org/W2088034942","https://openalex.org/W2132821577","https://openalex.org/W2157154815","https://openalex.org/W2162166182","https://openalex.org/W2323178299","https://openalex.org/W4234347480","https://openalex.org/W4240742692"],"related_works":["https://openalex.org/W1632118563","https://openalex.org/W75090202","https://openalex.org/W4245235810","https://openalex.org/W2023839151","https://openalex.org/W1774183074","https://openalex.org/W2057488824","https://openalex.org/W2334687145","https://openalex.org/W2178011914","https://openalex.org/W4235962491","https://openalex.org/W2061778832"],"abstract_inverted_index":{"Parallel":[0],"computing":[1,82],"seems":[2],"to":[3,60,66,73],"be":[4,71],"the":[5,21,27,34,62,68,74,86,89,97,100,107,111],"solution":[6],"for":[7,44],"molecular":[8],"dynamics":[9],"of":[10,33,88,103,110],"large":[11],"atomic":[12],"systems,":[13],"such":[14],"as":[15],"proteins":[16],"in":[17],"water":[18],"environments,":[19],"but":[20],"simulation":[22],"time":[23,83],"critically":[24],"depends":[25,84],"on":[26,39,85,96],"processor":[28,36],"allocation":[29,37],"strategy.":[30],"A":[31,54],"study":[32],"optimal":[35],"based":[38],"a":[40,77],"space":[41,90],"decomposition":[42,79,91],"algorithm":[43],"single":[45],"instruction":[46],"multiple":[47],"data":[48],"flow":[49],"mesh":[50],"computers":[51],"is":[52],"presented.":[53],"particular":[55],"effort":[56],"has":[57],"been":[58],"made":[59],"identify":[61],"best":[63],"criterion":[64],"according":[65],"which":[67],"atoms":[69],"can":[70],"allocated":[72],"processors":[75],"using":[76],"spatial":[78],"approach.":[80],"The":[81],"granularity":[87],"among":[92],"processing":[93,104],"elements":[94,105],"and":[95,106],"ratio":[98],"between":[99],"computation":[101],"power":[102],"communication":[108],"speed":[109],"interprocessor":[112],"network.":[113],"\u00a9":[114],"1996":[115],"by":[116],"John":[117],"Wiley":[118],"&":[119],"Sons,":[120],"Inc.":[121]},"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}