{"id":"https://openalex.org/W1991664225","doi":"https://doi.org/10.1002/(sici)1096-987x(199612)17:16<1857::aid-jcc6>3.0.co;2-m","title":"Fast lookup tables for interatomic interactions","display_name":"Fast lookup tables for interatomic interactions","publication_year":1996,"publication_date":"1996-12-01","ids":{"openalex":"https://openalex.org/W1991664225","doi":"https://doi.org/10.1002/(sici)1096-987x(199612)17:16<1857::aid-jcc6>3.0.co;2-m","mag":"1991664225"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(199612)17:16<1857::aid-jcc6>3.0.co;2-m","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199612)17:16<1857::aid-jcc6>3.0.co;2-m","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/A5028070558","display_name":"Nathan G. Hunt","orcid":null},"institutions":[{"id":"https://openalex.org/I180670191","display_name":"University of California, San Francisco","ror":"https://ror.org/043mz5j54","country_code":"US","type":"education","lineage":["https://openalex.org/I180670191"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Nathan G. Hunt","raw_affiliation_strings":["Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94143-0446"],"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94143-0446","institution_ids":["https://openalex.org/I180670191"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5113714363","display_name":"Fred E. Cohen","orcid":null},"institutions":[{"id":"https://openalex.org/I180670191","display_name":"University of California, San Francisco","ror":"https://ror.org/043mz5j54","country_code":"US","type":"education","lineage":["https://openalex.org/I180670191"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Fred E. Cohen","raw_affiliation_strings":["Department of Biochemistry and Biophysics, University of California, San Francisco, California 94143-0446","Department of Medicine, University of California, San Francisco, California 94143-0446","Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94143-0446","Department of Pharmacology, University of California, San Francisco, California 94143-0446"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry and Biophysics, University of California, San Francisco, California 94143-0446","institution_ids":["https://openalex.org/I180670191"]},{"raw_affiliation_string":"Department of Medicine, University of California, San Francisco, California 94143-0446","institution_ids":["https://openalex.org/I180670191"]},{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94143-0446","institution_ids":["https://openalex.org/I180670191"]},{"raw_affiliation_string":"Department of Pharmacology, University of California, San Francisco, California 94143-0446","institution_ids":["https://openalex.org/I180670191"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5028070558"],"corresponding_institution_ids":["https://openalex.org/I180670191"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":0.4432,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.59198823,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":"17","issue":"16","first_page":"1857","last_page":"1862"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10591","display_name":"Theoretical and Computational Physics","score":0.9976000189781189,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10591","display_name":"Theoretical and Computational Physics","score":0.9976000189781189,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13126","display_name":"Scientific Research and Discoveries","score":0.9922999739646912,"subfield":{"id":"https://openalex.org/subfields/3109","display_name":"Statistical and Nonlinear Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10928","display_name":"Probabilistic and Robust Engineering Design","score":0.9884999990463257,"subfield":{"id":"https://openalex.org/subfields/1804","display_name":"Statistics, Probability and Uncertainty"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/lookup-table","display_name":"Lookup table","score":0.7924478054046631},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6383373737335205},{"id":"https://openalex.org/keywords/speedup","display_name":"Speedup","score":0.6009986400604248},{"id":"https://openalex.org/keywords/table","display_name":"Table (database)","score":0.5783525705337524},{"id":"https://openalex.org/keywords/monte-carlo-method","display_name":"Monte Carlo method","score":0.5724042057991028},{"id":"https://openalex.org/keywords/pairwise-comparison","display_name":"Pairwise comparison","score":0.5571710467338562},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.46910104155540466},{"id":"https://openalex.org/keywords/function","display_name":"Function (biology)","score":0.4673752188682556},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.43084245920181274},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.4214681088924408},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.38519781827926636},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.18255910277366638},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.17922437191009521},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1672266125679016},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.08350276947021484}],"concepts":[{"id":"https://openalex.org/C134835016","wikidata":"https://www.wikidata.org/wiki/Q690265","display_name":"Lookup table","level":2,"score":0.7924478054046631},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6383373737335205},{"id":"https://openalex.org/C68339613","wikidata":"https://www.wikidata.org/wiki/Q1549489","display_name":"Speedup","level":2,"score":0.6009986400604248},{"id":"https://openalex.org/C45235069","wikidata":"https://www.wikidata.org/wiki/Q278425","display_name":"Table (database)","level":2,"score":0.5783525705337524},{"id":"https://openalex.org/C19499675","wikidata":"https://www.wikidata.org/wiki/Q232207","display_name":"Monte Carlo method","level":2,"score":0.5724042057991028},{"id":"https://openalex.org/C184898388","wikidata":"https://www.wikidata.org/wiki/Q1435712","display_name":"Pairwise comparison","level":2,"score":0.5571710467338562},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.46910104155540466},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.4673752188682556},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.43084245920181274},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.4214681088924408},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.38519781827926636},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.18255910277366638},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.17922437191009521},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1672266125679016},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.08350276947021484},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","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},{"id":"https://openalex.org/C78458016","wikidata":"https://www.wikidata.org/wiki/Q840400","display_name":"Evolutionary biology","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(199612)17:16<1857::aid-jcc6>3.0.co;2-m","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199612)17:16<1857::aid-jcc6>3.0.co;2-m","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":[{"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7","score":0.9100000262260437}],"awards":[],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":7,"referenced_works":["https://openalex.org/W1979046104","https://openalex.org/W2003988023","https://openalex.org/W2075956091","https://openalex.org/W2083206954","https://openalex.org/W2099111195","https://openalex.org/W2100221063","https://openalex.org/W2171234651"],"related_works":["https://openalex.org/W1506942559","https://openalex.org/W2051711022","https://openalex.org/W4225765802","https://openalex.org/W4200634291","https://openalex.org/W1997224861","https://openalex.org/W4293574872","https://openalex.org/W1534942742","https://openalex.org/W2078036931","https://openalex.org/W3182218422","https://openalex.org/W2357085507"],"abstract_inverted_index":{"We":[0],"describe":[1],"novel":[2],"lookup":[3,64,111],"tables":[4,13],"for":[5,80],"the":[6,41,44,52,63,107,110],"rapid":[7],"calculation":[8,71],"of":[9,17,40,43,72,88,109,117,120],"interatomic":[10],"interactions.":[11,74],"The":[12,75,122],"have":[14,95],"nonuniform":[15],"distributions":[16],"bin":[18],"widths":[19],"tailored":[20],"to":[21,100,126],"minimize":[22],"numerical":[23],"error":[24],"and":[25,56,128],"maximize":[26],"computational":[27],"speed.":[28],"Since":[29],"interaction":[30],"energies":[31],"are":[32,37],"precalculated,":[33],"computer":[34],"time":[35],"requirements":[36],"essentially":[38],"independent":[39],"form":[42],"potential":[45,92],"function":[46],"used.":[47],"In":[48,104],"test":[49],"calculations":[50],"using":[51],"AMBER":[53],"force":[54],"field":[55],"an":[57,86],"internal":[58],"coordinate":[59],"Monte":[60],"Carlo":[61],"algorithm,":[62],"table":[65,112],"runs":[66],"15%":[67],"faster":[68],"than":[69],"direct":[70],"nonbonded":[73],"method":[76,123],"is":[77,124],"more":[78,81,90],"advantageous":[79],"complicated":[82,91],"energy":[83],"functions.":[84],"As":[85],"example":[87],"a":[89,97,115,118],"function,":[93],"we":[94],"tested":[96],"pairwise":[98],"approximation":[99],"accessible":[101],"surface":[102],"area.":[103],"this":[105],"case,":[106],"use":[108],"results":[113],"in":[114],"speedup":[116],"factor":[119],"two.":[121],"straightforward":[125],"implement":[127],"should":[129],"be":[130],"widely":[131],"applicable.":[132],"\u00a9":[133],"1996":[134],"by":[135],"John":[136],"Wiley":[137],"&":[138],"Sons,":[139],"Inc.":[140]},"counts_by_year":[{"year":2015,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
