{"id":"https://openalex.org/W2149808586","doi":"https://doi.org/10.1155/2012/173521","title":"Relaxation Estimation of RMSD in Molecular Dynamics Immunosimulations","display_name":"Relaxation Estimation of RMSD in Molecular Dynamics Immunosimulations","publication_year":2012,"publication_date":"2012-01-01","ids":{"openalex":"https://openalex.org/W2149808586","doi":"https://doi.org/10.1155/2012/173521","mag":"2149808586","pmid":"https://pubmed.ncbi.nlm.nih.gov/23019425"},"language":"en","primary_location":{"id":"doi:10.1155/2012/173521","is_oa":true,"landing_page_url":"https://doi.org/10.1155/2012/173521","pdf_url":"https://downloads.hindawi.com/journals/cmmm/2012/173521.pdf","source":{"id":"https://openalex.org/S36980176","display_name":"Computational and Mathematical Methods in Medicine","issn_l":"1748-670X","issn":["1748-670X","1748-6718"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869"],"host_organization_lineage_names":["Hindawi Publishing Corporation"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational and Mathematical Methods in Medicine","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://downloads.hindawi.com/journals/cmmm/2012/173521.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5036250536","display_name":"Wolfgang Schreiner","orcid":"https://orcid.org/0000-0003-1910-5788"},"institutions":[{"id":"https://openalex.org/I76134821","display_name":"Medical University of Vienna","ror":"https://ror.org/05n3x4p02","country_code":"AT","type":"education","lineage":["https://openalex.org/I76134821"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Wolfgang Schreiner","raw_affiliation_strings":["Section of Biosimulation and Bioinformatics, Center for Medical Statistics, Informatics, and Intelligent Systems (CeMSIIS), Medical University of Vienna, Spitalgasse 23, 1090 Vienna, Austria"],"affiliations":[{"raw_affiliation_string":"Section of Biosimulation and Bioinformatics, Center for Medical Statistics, Informatics, and Intelligent Systems (CeMSIIS), Medical University of Vienna, Spitalgasse 23, 1090 Vienna, Austria","institution_ids":["https://openalex.org/I76134821"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009069767","display_name":"Rudolf Karch","orcid":"https://orcid.org/0000-0003-1541-7215"},"institutions":[{"id":"https://openalex.org/I76134821","display_name":"Medical University of Vienna","ror":"https://ror.org/05n3x4p02","country_code":"AT","type":"education","lineage":["https://openalex.org/I76134821"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"Rudolf Karch","raw_affiliation_strings":["Section of Biosimulation and Bioinformatics, Center for Medical Statistics, Informatics, and Intelligent Systems (CeMSIIS), Medical University of Vienna, Spitalgasse 23, 1090 Vienna, Austria"],"affiliations":[{"raw_affiliation_string":"Section of Biosimulation and Bioinformatics, Center for Medical Statistics, Informatics, and Intelligent Systems (CeMSIIS), Medical University of Vienna, Spitalgasse 23, 1090 Vienna, Austria","institution_ids":["https://openalex.org/I76134821"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034280556","display_name":"Bernhard Knapp","orcid":"https://orcid.org/0000-0002-5714-7105"},"institutions":[{"id":"https://openalex.org/I76134821","display_name":"Medical University of Vienna","ror":"https://ror.org/05n3x4p02","country_code":"AT","type":"education","lineage":["https://openalex.org/I76134821"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Bernhard Knapp","raw_affiliation_strings":["Section of Biosimulation and Bioinformatics, Center for Medical Statistics, Informatics, and Intelligent Systems (CeMSIIS), Medical University of Vienna, Spitalgasse 23, 1090 Vienna, Austria"],"affiliations":[{"raw_affiliation_string":"Section of Biosimulation and Bioinformatics, Center for Medical Statistics, Informatics, and Intelligent Systems (CeMSIIS), Medical University of Vienna, Spitalgasse 23, 1090 Vienna, Austria","institution_ids":["https://openalex.org/I76134821"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5084373333","display_name":"Nevena Ilieva","orcid":"https://orcid.org/0000-0002-2372-2319"},"institutions":[{"id":"https://openalex.org/I4210116884","display_name":"Institute for Nuclear Research and Nuclear Energy","ror":"https://ror.org/0276rjc88","country_code":"BG","type":"facility","lineage":["https://openalex.org/I24768866","https://openalex.org/I4210116884"]},{"id":"https://openalex.org/I24768866","display_name":"Bulgarian Academy of Sciences","ror":"https://ror.org/01x8hew03","country_code":"BG","type":"funder","lineage":["https://openalex.org/I24768866"]}],"countries":["BG"],"is_corresponding":false,"raw_author_name":"Nevena Ilieva","raw_affiliation_strings":["Institute for Nuclear Research and Nuclear Energy (INRNE), Bulgarian Academy of Sciences, 72, Tzarigradsko Chaussee, 1784 Sofia, Bulgaria"],"affiliations":[{"raw_affiliation_string":"Institute for Nuclear Research and Nuclear Energy (INRNE), Bulgarian Academy of Sciences, 72, Tzarigradsko Chaussee, 1784 Sofia, Bulgaria","institution_ids":["https://openalex.org/I4210116884","https://openalex.org/I24768866"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5009069767"],"corresponding_institution_ids":["https://openalex.org/I76134821"],"apc_list":{"value":2100,"currency":"USD","value_usd":2100},"apc_paid":{"value":2100,"currency":"USD","value_usd":2100},"fwci":0.3826,"has_fulltext":true,"cited_by_count":140,"citation_normalized_percentile":{"value":0.62264962,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":100},"biblio":{"volume":"2012","issue":null,"first_page":"1","last_page":"9"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10371","display_name":"Immune Response and Inflammation","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2403","display_name":"Immunology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10371","display_name":"Immune Response and Inflammation","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2403","display_name":"Immunology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11016","display_name":"Monoclonal and Polyclonal Antibodies Research","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2741","display_name":"Radiology, Nuclear Medicine and Imaging"},"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/T11020","display_name":"Immune Cell Function and Interaction","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2403","display_name":"Immunology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.7029412388801575},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.6272932291030884},{"id":"https://openalex.org/keywords/dynamics","display_name":"Dynamics (music)","score":0.520021915435791},{"id":"https://openalex.org/keywords/relaxation","display_name":"Relaxation (psychology)","score":0.5118133425712585},{"id":"https://openalex.org/keywords/variable","display_name":"Variable (mathematics)","score":0.4240856468677521},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.39512279629707336},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.39042818546295166},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.27814096212387085},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.18103545904159546},{"id":"https://openalex.org/keywords/mathematical-analysis","display_name":"Mathematical analysis","score":0.17915281653404236},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.11651510000228882},{"id":"https://openalex.org/keywords/psychology","display_name":"Psychology","score":0.07688188552856445}],"concepts":[{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7029412388801575},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.6272932291030884},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.520021915435791},{"id":"https://openalex.org/C2776029896","wikidata":"https://www.wikidata.org/wiki/Q3935810","display_name":"Relaxation (psychology)","level":2,"score":0.5118133425712585},{"id":"https://openalex.org/C182365436","wikidata":"https://www.wikidata.org/wiki/Q50701","display_name":"Variable (mathematics)","level":2,"score":0.4240856468677521},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.39512279629707336},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.39042818546295166},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.27814096212387085},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.18103545904159546},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.17915281653404236},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.11651510000228882},{"id":"https://openalex.org/C15744967","wikidata":"https://www.wikidata.org/wiki/Q9418","display_name":"Psychology","level":0,"score":0.07688188552856445},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0},{"id":"https://openalex.org/C77805123","wikidata":"https://www.wikidata.org/wiki/Q161272","display_name":"Social psychology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007107","descriptor_name":"Immune System","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007107","descriptor_name":"Immune System","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007107","descriptor_name":"Immune System","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007107","descriptor_name":"Immune System","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011948","descriptor_name":"Receptors, Antigen, T-Cell","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011948","descriptor_name":"Receptors, Antigen, T-Cell","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011948","descriptor_name":"Receptors, Antigen, T-Cell","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011948","descriptor_name":"Receptors, Antigen, T-Cell","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013997","descriptor_name":"Time Factors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013997","descriptor_name":"Time Factors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013997","descriptor_name":"Time Factors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013997","descriptor_name":"Time Factors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":4,"locations":[{"id":"doi:10.1155/2012/173521","is_oa":true,"landing_page_url":"https://doi.org/10.1155/2012/173521","pdf_url":"https://downloads.hindawi.com/journals/cmmm/2012/173521.pdf","source":{"id":"https://openalex.org/S36980176","display_name":"Computational and Mathematical Methods in Medicine","issn_l":"1748-670X","issn":["1748-670X","1748-6718"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869"],"host_organization_lineage_names":["Hindawi Publishing Corporation"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational and Mathematical Methods in Medicine","raw_type":"journal-article"},{"id":"pmid:23019425","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23019425","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational and mathematical methods in medicine","raw_type":null},{"id":"pmh:oai:doaj.org/article:4b94bee902934c23aeea80241c5935fe","is_oa":true,"landing_page_url":"https://doaj.org/article/4b94bee902934c23aeea80241c5935fe","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computational and Mathematical Methods in Medicine, Vol 2012 (2012)","raw_type":"article"},{"id":"pmh:oai:europepmc.org:2451165","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3457668","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1155/2012/173521","is_oa":true,"landing_page_url":"https://doi.org/10.1155/2012/173521","pdf_url":"https://downloads.hindawi.com/journals/cmmm/2012/173521.pdf","source":{"id":"https://openalex.org/S36980176","display_name":"Computational and Mathematical Methods in Medicine","issn_l":"1748-670X","issn":["1748-670X","1748-6718"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319869","host_organization_name":"Hindawi Publishing Corporation","host_organization_lineage":["https://openalex.org/P4310319869"],"host_organization_lineage_names":["Hindawi Publishing Corporation"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational and Mathematical Methods in Medicine","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1049507487","display_name":null,"funder_award_id":"FWF P22258-B12","funder_id":"https://openalex.org/F4320321181","funder_display_name":"Austrian Science Fund"},{"id":"https://openalex.org/G3401826410","display_name":null,"funder_award_id":"DCoE-02/1/2009","funder_id":"https://openalex.org/F4320321181","funder_display_name":"Austrian Science Fund"}],"funders":[{"id":"https://openalex.org/F4320321181","display_name":"Austrian Science Fund","ror":"https://ror.org/013tf3c58"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2149808586.pdf","grobid_xml":"https://content.openalex.org/works/W2149808586.grobid-xml"},"referenced_works_count":59,"referenced_works":["https://openalex.org/W1491824558","https://openalex.org/W1495283349","https://openalex.org/W1542579814","https://openalex.org/W1552852054","https://openalex.org/W1575758488","https://openalex.org/W1963897421","https://openalex.org/W1966078827","https://openalex.org/W1971201122","https://openalex.org/W1976088660","https://openalex.org/W1979575182","https://openalex.org/W1992874693","https://openalex.org/W2001548057","https://openalex.org/W2001681139","https://openalex.org/W2001773296","https://openalex.org/W2007960013","https://openalex.org/W2015110061","https://openalex.org/W2015403140","https://openalex.org/W2018168260","https://openalex.org/W2023060245","https://openalex.org/W2023592911","https://openalex.org/W2023827249","https://openalex.org/W2027144275","https://openalex.org/W2027605161","https://openalex.org/W2028968136","https://openalex.org/W2046974643","https://openalex.org/W2053843590","https://openalex.org/W2054135158","https://openalex.org/W2056761990","https://openalex.org/W2058048572","https://openalex.org/W2060422880","https://openalex.org/W2064059889","https://openalex.org/W2068646043","https://openalex.org/W2070639360","https://openalex.org/W2071755065","https://openalex.org/W2080086146","https://openalex.org/W2081831455","https://openalex.org/W2082712562","https://openalex.org/W2082990285","https://openalex.org/W2087795016","https://openalex.org/W2089000345","https://openalex.org/W2092924973","https://openalex.org/W2104724476","https://openalex.org/W2109476012","https://openalex.org/W2117451927","https://openalex.org/W2127522551","https://openalex.org/W2128675162","https://openalex.org/W2129213941","https://openalex.org/W2130479394","https://openalex.org/W2135899333","https://openalex.org/W2145494207","https://openalex.org/W2154026406","https://openalex.org/W2155589696","https://openalex.org/W2161977998","https://openalex.org/W2168874985","https://openalex.org/W2168925979","https://openalex.org/W2586256972","https://openalex.org/W2752853835","https://openalex.org/W3017082821","https://openalex.org/W3098183993"],"related_works":["https://openalex.org/W2023156907","https://openalex.org/W3094899115","https://openalex.org/W1968806281","https://openalex.org/W3095515585","https://openalex.org/W4315498887","https://openalex.org/W4378377190","https://openalex.org/W4401585471","https://openalex.org/W2360970307","https://openalex.org/W2888679374","https://openalex.org/W1773535258"],"abstract_inverted_index":{"Molecular":[0],"dynamics":[1],"simulations":[2],"have":[3],"to":[4,8,16,33],"be":[5],"sufficiently":[6],"long":[7,43],"draw":[9],"reliable":[10],"conclusions.":[11],"However,":[12],"no":[13],"method":[14,26],"exists":[15],"prove":[17],"that":[18],"a":[19,31,66],"simulation":[20,38,70],"has":[21,39,64,71],"converged.":[22,74],"We":[23],"suggest":[24],"the":[25,69],"of":[27,54],"\"lagged":[28],"RMSD-analysis\"":[29],"as":[30],"tool":[32],"judge":[34],"if":[35],"an":[36],"MD":[37],"not":[40,72],"yet":[41,73],"run":[42],"enough.":[44],"The":[45],"analysis":[46],"is":[47],"based":[48],"on":[49],"RMSD":[50],"values":[51],"between":[52],"pairs":[53],"configurations":[55],"separated":[56],"by":[57],"variable":[58],"time":[59],"intervals":[60],"\u0394t.":[61],"Unless":[62],"RMSD(\u0394t)":[63],"reached":[65],"stationary":[67],"shape,":[68]},"counts_by_year":[{"year":2026,"cited_by_count":6},{"year":2025,"cited_by_count":25},{"year":2024,"cited_by_count":35},{"year":2023,"cited_by_count":27},{"year":2022,"cited_by_count":27},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-03-28T08:17:26.163206","created_date":"2025-10-10T00:00:00"}
