{"id":"https://openalex.org/W1581807827","doi":"https://doi.org/10.1007/978-3-540-75755-9_6","title":"Averaged Configurations from Molecular Dynamics Simulations","display_name":"Averaged Configurations from Molecular Dynamics Simulations","publication_year":2007,"publication_date":"2007-09-22","ids":{"openalex":"https://openalex.org/W1581807827","doi":"https://doi.org/10.1007/978-3-540-75755-9_6","mag":"1581807827"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-540-75755-9_6","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-540-75755-9_6","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"},"type":"book-chapter","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/A5063674887","display_name":"K. Gillis","orcid":null},"institutions":[{"id":"https://openalex.org/I168635309","display_name":"University of Calgary","ror":"https://ror.org/03yjb2x39","country_code":"CA","type":"education","lineage":["https://openalex.org/I168635309"]}],"countries":["CA"],"is_corresponding":true,"raw_author_name":"K. Gillis","raw_affiliation_strings":["Department of Chemistry, University of Calgary, Calgary, Alberta, T2N 1N4, Canada","Department of Chemistry, University of Calgary, Calgary. Alberta Canada"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Calgary, Calgary, Alberta, T2N 1N4, Canada","institution_ids":["https://openalex.org/I168635309"]},{"raw_affiliation_string":"Department of Chemistry, University of Calgary, Calgary. Alberta Canada","institution_ids":["https://openalex.org/I168635309"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089209034","display_name":"Jenel Vatamanu","orcid":"https://orcid.org/0000-0003-0825-1608"},"institutions":[{"id":"https://openalex.org/I168635309","display_name":"University of Calgary","ror":"https://ror.org/03yjb2x39","country_code":"CA","type":"education","lineage":["https://openalex.org/I168635309"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"J. Vatamanu","raw_affiliation_strings":["Department of Chemistry, University of Calgary, Calgary, Alberta, T2N 1N4, Canada","Department of Chemistry, University of Calgary, Calgary. Alberta Canada"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Calgary, Calgary, Alberta, T2N 1N4, Canada","institution_ids":["https://openalex.org/I168635309"]},{"raw_affiliation_string":"Department of Chemistry, University of Calgary, Calgary. Alberta Canada","institution_ids":["https://openalex.org/I168635309"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091856988","display_name":"M. Shajahan G. Razul","orcid":"https://orcid.org/0000-0001-7973-7571"},"institutions":[{"id":"https://openalex.org/I197191942","display_name":"St. Francis Xavier University","ror":"https://ror.org/01wcaxs37","country_code":"CA","type":"education","lineage":["https://openalex.org/I197191942"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"M. S. Gulam Razul","raw_affiliation_strings":["Department of Physics, Saint Francis Xavier University, Antigonish, Nova Scotia, Canada"],"affiliations":[{"raw_affiliation_string":"Department of Physics, Saint Francis Xavier University, Antigonish, Nova Scotia, Canada","institution_ids":["https://openalex.org/I197191942"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5038669552","display_name":"Peter G. Kusalik","orcid":"https://orcid.org/0000-0001-6270-663X"},"institutions":[{"id":"https://openalex.org/I168635309","display_name":"University of Calgary","ror":"https://ror.org/03yjb2x39","country_code":"CA","type":"education","lineage":["https://openalex.org/I168635309"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Peter G. Kusalik","raw_affiliation_strings":["Department of Chemistry, University of Calgary, Calgary, Alberta, T2N 1N4, Canada","Department of Chemistry, University of Calgary, Calgary. Alberta Canada"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Calgary, Calgary, Alberta, T2N 1N4, Canada","institution_ids":["https://openalex.org/I168635309"]},{"raw_affiliation_string":"Department of Chemistry, University of Calgary, Calgary. Alberta Canada","institution_ids":["https://openalex.org/I168635309"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5063674887"],"corresponding_institution_ids":["https://openalex.org/I168635309"],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.1237326,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":null,"issue":null,"first_page":"51","last_page":"58"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.998199999332428,"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":0.998199999332428,"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":0.9969000220298767,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9825999736785889,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/trajectory","display_name":"Trajectory","score":0.7762719988822937},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.740366518497467},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5535281300544739},{"id":"https://openalex.org/keywords/visualization","display_name":"Visualization","score":0.5409567952156067},{"id":"https://openalex.org/keywords/nanosecond","display_name":"Nanosecond","score":0.5244674682617188},{"id":"https://openalex.org/keywords/dynamics","display_name":"Dynamics (music)","score":0.47157591581344604},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.470740407705307},{"id":"https://openalex.org/keywords/scale","display_name":"Scale (ratio)","score":0.46142297983169556},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.24301716685295105},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.16005820035934448},{"id":"https://openalex.org/keywords/optics","display_name":"Optics","score":0.07063621282577515}],"concepts":[{"id":"https://openalex.org/C13662910","wikidata":"https://www.wikidata.org/wiki/Q193139","display_name":"Trajectory","level":2,"score":0.7762719988822937},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.740366518497467},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5535281300544739},{"id":"https://openalex.org/C36464697","wikidata":"https://www.wikidata.org/wiki/Q451553","display_name":"Visualization","level":2,"score":0.5409567952156067},{"id":"https://openalex.org/C51141536","wikidata":"https://www.wikidata.org/wiki/Q838801","display_name":"Nanosecond","level":3,"score":0.5244674682617188},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.47157591581344604},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.470740407705307},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.46142297983169556},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.24301716685295105},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.16005820035934448},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.07063621282577515},{"id":"https://openalex.org/C520434653","wikidata":"https://www.wikidata.org/wiki/Q38867","display_name":"Laser","level":2,"score":0.0},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/978-3-540-75755-9_6","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-540-75755-9_6","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":14,"referenced_works":["https://openalex.org/W614018474","https://openalex.org/W1563463966","https://openalex.org/W2001938681","https://openalex.org/W2005004586","https://openalex.org/W2033472269","https://openalex.org/W2037024981","https://openalex.org/W2047691432","https://openalex.org/W2066386908","https://openalex.org/W2088849221","https://openalex.org/W2092204065","https://openalex.org/W2096759743","https://openalex.org/W2108149882","https://openalex.org/W2123501015","https://openalex.org/W2138671124"],"related_works":["https://openalex.org/W1022990548","https://openalex.org/W1535508957","https://openalex.org/W2111485834","https://openalex.org/W1972641544","https://openalex.org/W2068608913","https://openalex.org/W2334227872","https://openalex.org/W2004588679","https://openalex.org/W2314530107","https://openalex.org/W3112242906","https://openalex.org/W1773535258"],"abstract_inverted_index":null,"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2019,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}