{"id":"https://openalex.org/W1977255290","doi":"https://doi.org/10.1093/nar/gkm887","title":"R.E.DD.B.: A database for RESP and ESP atomic charges, and force field libraries","display_name":"R.E.DD.B.: A database for RESP and ESP atomic charges, and force field libraries","publication_year":2007,"publication_date":"2007-10-25","ids":{"openalex":"https://openalex.org/W1977255290","doi":"https://doi.org/10.1093/nar/gkm887","mag":"1977255290","pmid":"https://pubmed.ncbi.nlm.nih.gov/17962302"},"language":"en","primary_location":{"id":"doi:10.1093/nar/gkm887","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkm887","pdf_url":"https://academic.oup.com/nar/article-pdf/36/suppl_1/D360/7632987/gkm887.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"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":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://academic.oup.com/nar/article-pdf/36/suppl_1/D360/7632987/gkm887.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5113582577","display_name":"Fran\u00e7ois\u2010Yves Dupradeau","orcid":null},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4647051","display_name":"Universit\u00e9 de Picardie Jules Verne","ror":"https://ror.org/01gyxrk03","country_code":"FR","type":"education","lineage":["https://openalex.org/I4647051"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"F.-Y. Dupradeau","raw_affiliation_strings":["Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, Universit\u00e9 de Picardie Jules Verne, Amiens, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, Universit\u00e9 de Picardie Jules Verne, Amiens, France","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4647051"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063999813","display_name":"Christine C\u00e9zard","orcid":"https://orcid.org/0000-0003-3772-6465"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I188891513","display_name":"Sanford Burnham Prebys Medical Discovery Institute","ror":"https://ror.org/03m1g2s55","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I188891513"]},{"id":"https://openalex.org/I4647051","display_name":"Universit\u00e9 de Picardie Jules Verne","ror":"https://ror.org/01gyxrk03","country_code":"FR","type":"education","lineage":["https://openalex.org/I4647051"]}],"countries":["FR","US"],"is_corresponding":false,"raw_author_name":"C. Cezard","raw_affiliation_strings":["Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, 2 Universit\u00e9 de Picardie Jules Verne, Amiens, France and 3 Burnham Institute for Medical Research, La Jolla, CA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, 2 Universit\u00e9 de Picardie Jules Verne, Amiens, France and 3 Burnham Institute for Medical Research, La Jolla, CA, USA","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I188891513","https://openalex.org/I4647051"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048497169","display_name":"Romain Lelong","orcid":"https://orcid.org/0000-0003-1865-8786"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I188891513","display_name":"Sanford Burnham Prebys Medical Discovery Institute","ror":"https://ror.org/03m1g2s55","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I188891513"]},{"id":"https://openalex.org/I4647051","display_name":"Universit\u00e9 de Picardie Jules Verne","ror":"https://ror.org/01gyxrk03","country_code":"FR","type":"education","lineage":["https://openalex.org/I4647051"]}],"countries":["FR","US"],"is_corresponding":false,"raw_author_name":"R. Lelong","raw_affiliation_strings":["Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, 2 Universit\u00e9 de Picardie Jules Verne, Amiens, France and 3 Burnham Institute for Medical Research, La Jolla, CA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, 2 Universit\u00e9 de Picardie Jules Verne, Amiens, France and 3 Burnham Institute for Medical Research, La Jolla, CA, USA","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I188891513","https://openalex.org/I4647051"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5098497300","display_name":"E. Stanislawiak","orcid":null},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I188891513","display_name":"Sanford Burnham Prebys Medical Discovery Institute","ror":"https://ror.org/03m1g2s55","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I188891513"]},{"id":"https://openalex.org/I4647051","display_name":"Universit\u00e9 de Picardie Jules Verne","ror":"https://ror.org/01gyxrk03","country_code":"FR","type":"education","lineage":["https://openalex.org/I4647051"]}],"countries":["FR","US"],"is_corresponding":false,"raw_author_name":"E. Stanislawiak","raw_affiliation_strings":["Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, 2 Universit\u00e9 de Picardie Jules Verne, Amiens, France and 3 Burnham Institute for Medical Research, La Jolla, CA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, 2 Universit\u00e9 de Picardie Jules Verne, Amiens, France and 3 Burnham Institute for Medical Research, La Jolla, CA, USA","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I188891513","https://openalex.org/I4647051"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004434726","display_name":"Julien P\u00eacher","orcid":null},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I188891513","display_name":"Sanford Burnham Prebys Medical Discovery Institute","ror":"https://ror.org/03m1g2s55","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I188891513"]},{"id":"https://openalex.org/I4647051","display_name":"Universit\u00e9 de Picardie Jules Verne","ror":"https://ror.org/01gyxrk03","country_code":"FR","type":"education","lineage":["https://openalex.org/I4647051"]}],"countries":["FR","US"],"is_corresponding":false,"raw_author_name":"J. Pecher","raw_affiliation_strings":["Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, 2 Universit\u00e9 de Picardie Jules Verne, Amiens, France and 3 Burnham Institute for Medical Research, La Jolla, CA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, 2 Universit\u00e9 de Picardie Jules Verne, Amiens, France and 3 Burnham Institute for Medical Research, La Jolla, CA, USA","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I188891513","https://openalex.org/I4647051"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069454764","display_name":"Jean Charles Delepine","orcid":null},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I188891513","display_name":"Sanford Burnham Prebys Medical Discovery Institute","ror":"https://ror.org/03m1g2s55","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I188891513"]},{"id":"https://openalex.org/I4647051","display_name":"Universit\u00e9 de Picardie Jules Verne","ror":"https://ror.org/01gyxrk03","country_code":"FR","type":"education","lineage":["https://openalex.org/I4647051"]}],"countries":["FR","US"],"is_corresponding":false,"raw_author_name":"J. C. Delepine","raw_affiliation_strings":["Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, 2 Universit\u00e9 de Picardie Jules Verne, Amiens, France and 3 Burnham Institute for Medical Research, La Jolla, CA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, 2 Universit\u00e9 de Picardie Jules Verne, Amiens, France and 3 Burnham Institute for Medical Research, La Jolla, CA, USA","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I188891513","https://openalex.org/I4647051"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5032185922","display_name":"Piotr Cieplak","orcid":"https://orcid.org/0000-0003-0700-5691"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I188891513","display_name":"Sanford Burnham Prebys Medical Discovery Institute","ror":"https://ror.org/03m1g2s55","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I188891513"]},{"id":"https://openalex.org/I4647051","display_name":"Universit\u00e9 de Picardie Jules Verne","ror":"https://ror.org/01gyxrk03","country_code":"FR","type":"education","lineage":["https://openalex.org/I4647051"]}],"countries":["FR","US"],"is_corresponding":false,"raw_author_name":"P. Cieplak","raw_affiliation_strings":["Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, 2 Universit\u00e9 de Picardie Jules Verne, Amiens, France and 3 Burnham Institute for Medical Research, La Jolla, CA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universit\u00e9 de Picardie Jules Verne - Facult\u00e9 de Pharmacie & UMR CNRS 6219, 2 Universit\u00e9 de Picardie Jules Verne, Amiens, France and 3 Burnham Institute for Medical Research, La Jolla, CA, USA","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I188891513","https://openalex.org/I4647051"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5113582577"],"corresponding_institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4647051"],"apc_list":{"value":3630,"currency":"USD","value_usd":3630},"apc_paid":{"value":3630,"currency":"USD","value_usd":3630},"fwci":1.2588,"has_fulltext":true,"cited_by_count":103,"citation_normalized_percentile":{"value":0.77198916,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":99},"biblio":{"volume":"36","issue":"Database","first_page":"D360","last_page":"D367"},"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":0.9997000098228455,"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/T10798","display_name":"Crystallography and molecular interactions","score":0.9987999796867371,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/force-field","display_name":"Force field (fiction)","score":0.7156974673271179},{"id":"https://openalex.org/keywords/scripting-language","display_name":"Scripting language","score":0.6604722738265991},{"id":"https://openalex.org/keywords/charge","display_name":"Charge (physics)","score":0.5957348942756653},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.5547131299972534},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.5066119432449341},{"id":"https://openalex.org/keywords/interface","display_name":"Interface (matter)","score":0.4735252857208252},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.43641889095306396},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.42884203791618347},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.3686256408691406},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3385423421859741},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.209618479013443},{"id":"https://openalex.org/keywords/particle-physics","display_name":"Particle physics","score":0.17562434077262878},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.1142013669013977},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.11280417442321777}],"concepts":[{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.7156974673271179},{"id":"https://openalex.org/C61423126","wikidata":"https://www.wikidata.org/wiki/Q187432","display_name":"Scripting language","level":2,"score":0.6604722738265991},{"id":"https://openalex.org/C188082385","wikidata":"https://www.wikidata.org/wiki/Q73792","display_name":"Charge (physics)","level":2,"score":0.5957348942756653},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.5547131299972534},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.5066119432449341},{"id":"https://openalex.org/C113843644","wikidata":"https://www.wikidata.org/wiki/Q901882","display_name":"Interface (matter)","level":4,"score":0.4735252857208252},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.43641889095306396},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.42884203791618347},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3686256408691406},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3385423421859741},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.209618479013443},{"id":"https://openalex.org/C109214941","wikidata":"https://www.wikidata.org/wiki/Q18334","display_name":"Particle physics","level":1,"score":0.17562434077262878},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.1142013669013977},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.11280417442321777},{"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/C55352822","wikidata":"https://www.wikidata.org/wiki/Q5558978","display_name":"Gibbs isotherm","level":3,"score":0.0}],"mesh":[{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1093/nar/gkm887","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkm887","pdf_url":"https://academic.oup.com/nar/article-pdf/36/suppl_1/D360/7632987/gkm887.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"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":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},{"id":"pmid:17962302","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/17962302","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":"Nucleic acids research","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:2238896","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2238896","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Nucleic Acids Res","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/nar/gkm887","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkm887","pdf_url":"https://academic.oup.com/nar/article-pdf/36/suppl_1/D360/7632987/gkm887.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"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":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2069028905","display_name":"AMBER force field consortium: a coherent biomolecular simulation platform","funder_award_id":"3r01gm079383-08s1","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G4857105188","display_name":null,"funder_award_id":"R01GM079383","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G8759326567","display_name":null,"funder_award_id":"GM079383","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320322892","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1977255290.pdf","grobid_xml":"https://content.openalex.org/works/W1977255290.grobid-xml"},"referenced_works_count":46,"referenced_works":["https://openalex.org/W68080861","https://openalex.org/W185029269","https://openalex.org/W649722969","https://openalex.org/W1507411402","https://openalex.org/W1595747105","https://openalex.org/W1650728208","https://openalex.org/W1653050201","https://openalex.org/W1967326747","https://openalex.org/W1967737979","https://openalex.org/W1976161355","https://openalex.org/W1978159078","https://openalex.org/W1979046104","https://openalex.org/W1981377787","https://openalex.org/W1985292190","https://openalex.org/W2003329164","https://openalex.org/W2015324838","https://openalex.org/W2016806712","https://openalex.org/W2022950330","https://openalex.org/W2027408247","https://openalex.org/W2033268106","https://openalex.org/W2035199159","https://openalex.org/W2041189078","https://openalex.org/W2045364254","https://openalex.org/W2049076931","https://openalex.org/W2051381895","https://openalex.org/W2058673890","https://openalex.org/W2060130346","https://openalex.org/W2063831812","https://openalex.org/W2069123478","https://openalex.org/W2105564187","https://openalex.org/W2107029002","https://openalex.org/W2122199548","https://openalex.org/W2127522551","https://openalex.org/W2128230016","https://openalex.org/W2131288855","https://openalex.org/W2136729627","https://openalex.org/W2137056475","https://openalex.org/W2144369061","https://openalex.org/W2147993766","https://openalex.org/W2149263899","https://openalex.org/W2151334055","https://openalex.org/W2157680389","https://openalex.org/W2162166182","https://openalex.org/W2262746696","https://openalex.org/W2267615301","https://openalex.org/W3202912068"],"related_works":["https://openalex.org/W2046765700","https://openalex.org/W4384345686","https://openalex.org/W262455470","https://openalex.org/W4242899858","https://openalex.org/W2145834781","https://openalex.org/W2357937784","https://openalex.org/W2547618384","https://openalex.org/W2577782152","https://openalex.org/W2356327704","https://openalex.org/W4240746485"],"abstract_inverted_index":{"The":[0,94],"web-based":[1],"RESP":[2,15,78],"ESP":[3,17,80],"charge":[4,19,37,51],"DataBase":[5],"(R.E.DD.B.,":[6],"http://q4md-forcefieldtools.org/REDDB)":[7],"is":[8],"a":[9,91,128],"free":[10],"and":[11,16,21,35,39,59,76,82,117,124],"new":[12],"source":[13],"of":[14,97,131],"atomic":[18],"values":[20,38],"force":[22,83,104],"field":[23,84,105],"libraries":[24,85,106],"for":[25,107,114],"model":[26],"systems":[27],"and/or":[28],"small":[29],"molecules.":[30],"R.E.DD.B.":[31,70],"stores":[32],"highly":[33],"effective":[34],"reproducible":[36],"molecular":[40,60,66,112],"structures":[41],"in":[42,62,100],"the":[43,50,57,63,87],"Tripos":[44],"mol2":[45],"file":[46],"format,":[47],"information":[48],"about":[49],"derivation":[52],"procedure,":[53],"scripts":[54],"to":[55,73,86],"integrate":[56],"charges":[58,81],"topology":[61],"most":[64],"common":[65],"dynamics":[67],"packages.":[68],"Moreover,":[69],"allows":[71],"users":[72],"freely":[74],"store":[75],"distribute":[77],"or":[79],"scientific":[88],"community,":[89],"via":[90],"web":[92],"interface.":[93],"first":[95],"version":[96],"R.E.DD.B.,":[98],"released":[99],"January":[101],"2006,":[102],"contains":[103],"molecules":[108],"as":[109,111],"well":[110],"fragments":[113],"standard":[115],"residues":[116],"their":[118],"analogs":[119],"(amino":[120],"acids,":[121],"monosaccharides,":[122],"nucleotides":[123],"ligands),":[125],"hence":[126],"covering":[127],"vast":[129],"area":[130],"relevant":[132],"biological":[133],"applications.":[134]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":6},{"year":2022,"cited_by_count":7},{"year":2021,"cited_by_count":10},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":10},{"year":2018,"cited_by_count":6},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":5},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":8},{"year":2013,"cited_by_count":10},{"year":2012,"cited_by_count":7}],"updated_date":"2026-08-06T08:24:18.245995","created_date":"2025-10-10T00:00:00"}
