{"id":"https://openalex.org/W2104273819","doi":"https://doi.org/10.1093/bioinformatics/btt675","title":"Coarse-grained versus atomistic simulations: realistic interaction free energies for real proteins","display_name":"Coarse-grained versus atomistic simulations: realistic interaction free energies for real proteins","publication_year":2013,"publication_date":"2013-11-22","ids":{"openalex":"https://openalex.org/W2104273819","doi":"https://doi.org/10.1093/bioinformatics/btt675","mag":"2104273819","pmid":"https://pubmed.ncbi.nlm.nih.gov/24273239"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btt675","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btt675","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/30/3/326/48916462/bioinformatics_30_3_326.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://academic.oup.com/bioinformatics/article-pdf/30/3/326/48916462/bioinformatics_30_3_326.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5072567374","display_name":"Ali May","orcid":null},"institutions":[{"id":"https://openalex.org/I2898155008","display_name":"Academic Center for Dentistry Amsterdam","ror":"https://ror.org/04x5wnb75","country_code":"NL","type":"education","lineage":["https://openalex.org/I2898155008"]},{"id":"https://openalex.org/I887064364","display_name":"University of Amsterdam","ror":"https://ror.org/04dkp9463","country_code":"NL","type":"education","lineage":["https://openalex.org/I887064364"]},{"id":"https://openalex.org/I2801582894","display_name":"Netherlands Bioinformatics Centre","ror":"https://ror.org/01r0k6965","country_code":"NL","type":"nonprofit","lineage":["https://openalex.org/I2801582894"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Ali May","raw_affiliation_strings":["1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I2898155008","https://openalex.org/I887064364","https://openalex.org/I2801582894"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015624790","display_name":"Ren\u00e9 Pool","orcid":"https://orcid.org/0000-0001-5579-0933"},"institutions":[{"id":"https://openalex.org/I887064364","display_name":"University of Amsterdam","ror":"https://ror.org/04dkp9463","country_code":"NL","type":"education","lineage":["https://openalex.org/I887064364"]},{"id":"https://openalex.org/I2801582894","display_name":"Netherlands Bioinformatics Centre","ror":"https://ror.org/01r0k6965","country_code":"NL","type":"nonprofit","lineage":["https://openalex.org/I2801582894"]},{"id":"https://openalex.org/I2898155008","display_name":"Academic Center for Dentistry Amsterdam","ror":"https://ror.org/04x5wnb75","country_code":"NL","type":"education","lineage":["https://openalex.org/I2898155008"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Ren\u00e9 Pool","raw_affiliation_strings":["1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I2898155008","https://openalex.org/I887064364","https://openalex.org/I2801582894"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020889972","display_name":"Erik van Dijk","orcid":"https://orcid.org/0000-0002-6272-2039"},"institutions":[{"id":"https://openalex.org/I887064364","display_name":"University of Amsterdam","ror":"https://ror.org/04dkp9463","country_code":"NL","type":"education","lineage":["https://openalex.org/I887064364"]},{"id":"https://openalex.org/I2801582894","display_name":"Netherlands Bioinformatics Centre","ror":"https://ror.org/01r0k6965","country_code":"NL","type":"nonprofit","lineage":["https://openalex.org/I2801582894"]},{"id":"https://openalex.org/I2898155008","display_name":"Academic Center for Dentistry Amsterdam","ror":"https://ror.org/04x5wnb75","country_code":"NL","type":"education","lineage":["https://openalex.org/I2898155008"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Erik van Dijk","raw_affiliation_strings":["1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I2898155008","https://openalex.org/I887064364","https://openalex.org/I2801582894"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056447101","display_name":"Jochem Bijlard","orcid":null},"institutions":[{"id":"https://openalex.org/I887064364","display_name":"University of Amsterdam","ror":"https://ror.org/04dkp9463","country_code":"NL","type":"education","lineage":["https://openalex.org/I887064364"]},{"id":"https://openalex.org/I2801582894","display_name":"Netherlands Bioinformatics Centre","ror":"https://ror.org/01r0k6965","country_code":"NL","type":"nonprofit","lineage":["https://openalex.org/I2801582894"]},{"id":"https://openalex.org/I2898155008","display_name":"Academic Center for Dentistry Amsterdam","ror":"https://ror.org/04x5wnb75","country_code":"NL","type":"education","lineage":["https://openalex.org/I2898155008"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Jochem Bijlard","raw_affiliation_strings":["1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I2898155008","https://openalex.org/I887064364","https://openalex.org/I2801582894"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014978488","display_name":"Sanne Abeln","orcid":"https://orcid.org/0000-0002-2779-7174"},"institutions":[{"id":"https://openalex.org/I2801582894","display_name":"Netherlands Bioinformatics Centre","ror":"https://ror.org/01r0k6965","country_code":"NL","type":"nonprofit","lineage":["https://openalex.org/I2801582894"]},{"id":"https://openalex.org/I2898155008","display_name":"Academic Center for Dentistry Amsterdam","ror":"https://ror.org/04x5wnb75","country_code":"NL","type":"education","lineage":["https://openalex.org/I2898155008"]},{"id":"https://openalex.org/I887064364","display_name":"University of Amsterdam","ror":"https://ror.org/04dkp9463","country_code":"NL","type":"education","lineage":["https://openalex.org/I887064364"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Sanne Abeln","raw_affiliation_strings":["1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I2898155008","https://openalex.org/I887064364","https://openalex.org/I2801582894"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103164604","display_name":"Jaap Heringa","orcid":"https://orcid.org/0000-0001-8641-4930"},"institutions":[{"id":"https://openalex.org/I2898155008","display_name":"Academic Center for Dentistry Amsterdam","ror":"https://ror.org/04x5wnb75","country_code":"NL","type":"education","lineage":["https://openalex.org/I2898155008"]},{"id":"https://openalex.org/I2801582894","display_name":"Netherlands Bioinformatics Centre","ror":"https://ror.org/01r0k6965","country_code":"NL","type":"nonprofit","lineage":["https://openalex.org/I2801582894"]},{"id":"https://openalex.org/I887064364","display_name":"University of Amsterdam","ror":"https://ror.org/04dkp9463","country_code":"NL","type":"education","lineage":["https://openalex.org/I887064364"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Jaap Heringa","raw_affiliation_strings":["1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I2898155008","https://openalex.org/I887064364","https://openalex.org/I2801582894"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5041175377","display_name":"K. Anton Feenstra","orcid":"https://orcid.org/0000-0001-6755-9667"},"institutions":[{"id":"https://openalex.org/I2898155008","display_name":"Academic Center for Dentistry Amsterdam","ror":"https://ror.org/04x5wnb75","country_code":"NL","type":"education","lineage":["https://openalex.org/I2898155008"]},{"id":"https://openalex.org/I2801582894","display_name":"Netherlands Bioinformatics Centre","ror":"https://ror.org/01r0k6965","country_code":"NL","type":"nonprofit","lineage":["https://openalex.org/I2801582894"]},{"id":"https://openalex.org/I887064364","display_name":"University of Amsterdam","ror":"https://ror.org/04dkp9463","country_code":"NL","type":"education","lineage":["https://openalex.org/I887064364"]}],"countries":["NL"],"is_corresponding":true,"raw_author_name":"K. Anton Feenstra","raw_affiliation_strings":["1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"1 Centre for Integrative Bioinformatics (IBIVU), VU University Amsterdam, 2Amsterdam Institute for Molecules Medicines and Systems (AIMMS), VU University Amsterdam, 3Department of Preventive Dentistry, Academic Centre for Dentistry Amsterdam (ACTA), University of Amsterdam and VU University Amsterdam, 4Netherlands Bioinformatics Centre (NBIC), Geert Grooteplein 28 6525 GA Nijmegen, The Netherlands and 5Department of Biological Psychology, VU University Amsterdam, 1081 HV Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I2898155008","https://openalex.org/I887064364","https://openalex.org/I2801582894"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5041175377"],"corresponding_institution_ids":["https://openalex.org/I2801582894","https://openalex.org/I2898155008","https://openalex.org/I887064364"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":1.9379,"has_fulltext":false,"cited_by_count":51,"citation_normalized_percentile":{"value":0.86085923,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"30","issue":"3","first_page":"326","last_page":"334"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9998999834060669,"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":0.9998999834060669,"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":0.9984999895095825,"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/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9969000220298767,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.7606418132781982},{"id":"https://openalex.org/keywords/python","display_name":"Python (programming language)","score":0.684130072593689},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6315559148788452},{"id":"https://openalex.org/keywords/force-field","display_name":"Force field (fiction)","score":0.5965999960899353},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.5106921792030334},{"id":"https://openalex.org/keywords/energy-landscape","display_name":"Energy landscape","score":0.43000638484954834},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.39565762877464294},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.2725788354873657},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.18675851821899414},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.18539565801620483},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.13701361417770386}],"concepts":[{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7606418132781982},{"id":"https://openalex.org/C519991488","wikidata":"https://www.wikidata.org/wiki/Q28865","display_name":"Python (programming language)","level":2,"score":0.684130072593689},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6315559148788452},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.5965999960899353},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.5106921792030334},{"id":"https://openalex.org/C119621388","wikidata":"https://www.wikidata.org/wiki/Q5377166","display_name":"Energy landscape","level":2,"score":0.43000638484954834},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.39565762877464294},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2725788354873657},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.18675851821899414},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.18539565801620483},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.13701361417770386},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D025941","descriptor_name":"Protein Interaction Mapping","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D025941","descriptor_name":"Protein Interaction Mapping","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D025941","descriptor_name":"Protein Interaction Mapping","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D046912","descriptor_name":"Multiprotein Complexes","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D046912","descriptor_name":"Multiprotein Complexes","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D046912","descriptor_name":"Multiprotein Complexes","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D046912","descriptor_name":"Multiprotein Complexes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D046912","descriptor_name":"Multiprotein Complexes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D046912","descriptor_name":"Multiprotein Complexes","qualifier_ui":"Q000737","qualifier_name":"chemistry","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}],"locations_count":6,"locations":[{"id":"doi:10.1093/bioinformatics/btt675","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btt675","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/30/3/326/48916462/bioinformatics_30_3_326.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:24273239","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24273239","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":"Bioinformatics (Oxford, England)","raw_type":null},{"id":"pmh:oai:dare.uva.nl:openaire_cris_publications/13ca3954-05f8-40e8-96e9-f272a63a014e","is_oa":false,"landing_page_url":"https://dare.uva.nl/personal/pure/en/publications/coarsegrained-versus-atomistic-simulations-realistic-interaction-free-energies-for-real-proteins(13ca3954-05f8-40e8-96e9-f272a63a014e).html","pdf_url":null,"source":{"id":"https://openalex.org/S4306400088","display_name":"UvA-DARE (University of Amsterdam)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I887064364","host_organization_name":"University of Amsterdam","host_organization_lineage":["https://openalex.org/I887064364"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"May, A, Pool, R, van Dijk, E, Bijlard, J, Abeln, S, Heringa, J & Feenstra, K A 2014, 'Coarse-grained versus atomistic simulations: realistic interaction free energies for real proteins', Bioinformatics, vol. 30, no. 3, pp. 326-334. https://doi.org/10.1093/bioinformatics/btt675","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:oai:research.vu.nl:openaire/cdfe0273-1743-44a6-a875-92aed3340d24","is_oa":true,"landing_page_url":"https://research.vu.nl/en/publications/cdfe0273-1743-44a6-a875-92aed3340d24","pdf_url":null,"source":{"id":"https://openalex.org/S4306401107","display_name":"VU Research Portal","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I865915315","host_organization_name":"Vrije Universiteit Amsterdam","host_organization_lineage":["https://openalex.org/I865915315"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"May, A, Pool, R, van Dijk, E, Bijlard, J, Abeln, S, Heringa, J & Feenstra, K A 2014, 'Coarse-grained versus atomistic simulations : realistic interaction free energies for real proteins', Bioinformatics, vol. 30, no. 3, pp. 326-34. https://doi.org/10.1093/bioinformatics/btt675","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:oai:dare.uva.nl:publications/13ca3954-05f8-40e8-96e9-f272a63a014e","is_oa":false,"landing_page_url":"https://handle.uba.uva.nl/personal/pure/en/publications/coarsegrained-versus-atomistic-simulations-realistic-interaction-free-energies-for-real-proteins(13ca3954-05f8-40e8-96e9-f272a63a014e).html","pdf_url":null,"source":{"id":"https://openalex.org/S4306400088","display_name":"UvA-DARE (University of Amsterdam)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I887064364","host_organization_name":"University of Amsterdam","host_organization_lineage":["https://openalex.org/I887064364"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"May, A, Pool, R, van Dijk, E, Bijlard, J, Abeln, S, Heringa, J & Feenstra, K A 2014, 'Coarse-grained versus atomistic simulations: realistic interaction free energies for real proteins', Bioinformatics, vol. 30, no. 3, pp. 326-334. https://doi.org/10.1093/bioinformatics/btt675","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:vu:oai:research.vu.nl:publications/f7e4ed05-7a21-4e4a-a2e7-6d0d5e815697","is_oa":false,"landing_page_url":"https://research.vu.nl/en/publications/f7e4ed05-7a21-4e4a-a2e7-6d0d5e815697","pdf_url":null,"source":{"id":"https://openalex.org/S4306401843","display_name":"Data Archiving and Networked Services (DANS)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1322597698","host_organization_name":"Royal Netherlands Academy of Arts and Sciences","host_organization_lineage":["https://openalex.org/I1322597698"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Bioinformatics, 30(3), 326 - 334. Oxford University Press","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btt675","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btt675","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/30/3/326/48916462/bioinformatics_30_3_326.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.8899999856948853,"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy"}],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2104273819.pdf","grobid_xml":"https://content.openalex.org/works/W2104273819.grobid-xml"},"referenced_works_count":50,"referenced_works":["https://openalex.org/W1966078827","https://openalex.org/W1968285218","https://openalex.org/W1969046853","https://openalex.org/W1972631323","https://openalex.org/W1975353473","https://openalex.org/W1984216675","https://openalex.org/W1984290676","https://openalex.org/W1985222378","https://openalex.org/W1992916219","https://openalex.org/W2008708467","https://openalex.org/W2013979082","https://openalex.org/W2017829285","https://openalex.org/W2023980306","https://openalex.org/W2024373869","https://openalex.org/W2029667189","https://openalex.org/W2032897685","https://openalex.org/W2034655166","https://openalex.org/W2035266068","https://openalex.org/W2038651890","https://openalex.org/W2051139730","https://openalex.org/W2051864856","https://openalex.org/W2052518379","https://openalex.org/W2065283382","https://openalex.org/W2065306175","https://openalex.org/W2065492796","https://openalex.org/W2071919488","https://openalex.org/W2073484285","https://openalex.org/W2074196503","https://openalex.org/W2077864494","https://openalex.org/W2081693079","https://openalex.org/W2103210604","https://openalex.org/W2110720709","https://openalex.org/W2111966042","https://openalex.org/W2116963147","https://openalex.org/W2119267663","https://openalex.org/W2121400889","https://openalex.org/W2121507105","https://openalex.org/W2123375001","https://openalex.org/W2127489458","https://openalex.org/W2128824543","https://openalex.org/W2135328202","https://openalex.org/W2142209403","https://openalex.org/W2143210482","https://openalex.org/W2144112190","https://openalex.org/W2146650190","https://openalex.org/W2147752484","https://openalex.org/W2152521138","https://openalex.org/W2154813243","https://openalex.org/W2155740919","https://openalex.org/W2290394493"],"related_works":["https://openalex.org/W3127534742","https://openalex.org/W2028501277","https://openalex.org/W2002038078","https://openalex.org/W4366465732","https://openalex.org/W2811043963","https://openalex.org/W2161972019","https://openalex.org/W2312858532","https://openalex.org/W4321013117","https://openalex.org/W2082128336","https://openalex.org/W2295045806"],"abstract_inverted_index":{"The":[0],"python":[1],"analysis":[2],"framework":[3],"and":[4],"data":[5],"files":[6],"are":[7],"available":[8],"for":[9],"download":[10],"at":[11],"http://www.ibi.vu.nl/downloads/bioinformatics-2013-btt675.tgz.":[12]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":7},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":6},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":6},{"year":2016,"cited_by_count":6},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":4}],"updated_date":"2026-03-17T09:09:15.849793","created_date":"2025-10-10T00:00:00"}