{"id":"https://openalex.org/W3098396065","doi":"https://doi.org/10.1021/acs.jcim.0c01168","title":"Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations","display_name":"Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations","publication_year":2020,"publication_date":"2020-11-19","ids":{"openalex":"https://openalex.org/W3098396065","doi":"https://doi.org/10.1021/acs.jcim.0c01168","mag":"3098396065","pmid":"https://pubmed.ncbi.nlm.nih.gov/33213140"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.0c01168","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c01168","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.arca.fiocruz.br/bitstream/icict/57694/2/Rotational%20Profiler%20A%20Fast%2c%20Automated%2c%20and%20Interactive%20Server%20to%20Derive%20Torsional%20Dihedral%20Potentials%20for%20Classical%20Molecular%20Simulations.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5078393885","display_name":"Victor H. Rusu","orcid":null},"institutions":[{"id":"https://openalex.org/I4391767926","display_name":"CSCS - Swiss National Supercomputing Centre","ror":"https://ror.org/04rzmms09","country_code":null,"type":"facility","lineage":["https://openalex.org/I2799323385","https://openalex.org/I35440088","https://openalex.org/I4391767926"]},{"id":"https://openalex.org/I59105498","display_name":"Swisscom (Switzerland)","ror":"https://ror.org/04t1f4f50","country_code":"CH","type":"company","lineage":["https://openalex.org/I59105498"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Victor H. Rusu","raw_affiliation_strings":["Swiss National Supercomputing Centre, Lugano, Ticino 6900, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Swiss National Supercomputing Centre, Lugano, Ticino 6900, Switzerland","institution_ids":["https://openalex.org/I59105498","https://openalex.org/I4391767926"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088543547","display_name":"Denys E. S. Santos","orcid":"https://orcid.org/0000-0002-1062-3602"},"institutions":[{"id":"https://openalex.org/I25112270","display_name":"Universidade Federal de Pernambuco","ror":"https://ror.org/047908t24","country_code":"BR","type":"education","lineage":["https://openalex.org/I25112270"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Denys E. S. Santos","raw_affiliation_strings":["Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, Pernambuco 50740-640, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, Pernambuco 50740-640, Brazil","institution_ids":["https://openalex.org/I25112270"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017891381","display_name":"Marcelo D. Pol\u00eato","orcid":"https://orcid.org/0000-0001-9210-690X"},"institutions":[{"id":"https://openalex.org/I146165071","display_name":"Universidade Federal de Vi\u00e7osa","ror":"https://ror.org/0409dgb37","country_code":"BR","type":"education","lineage":["https://openalex.org/I146165071"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Marcelo D. Poleto","raw_affiliation_strings":["Department of General Biology, Federal University of Vi\u00e7osa, Vi\u00e7osa, Minas Gerais 36570-000, Brazil"],"raw_orcid":"https://orcid.org/0000-0001-9210-690X","affiliations":[{"raw_affiliation_string":"Department of General Biology, Federal University of Vi\u00e7osa, Vi\u00e7osa, Minas Gerais 36570-000, Brazil","institution_ids":["https://openalex.org/I146165071"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078237425","display_name":"Marcelo Galheigo","orcid":"https://orcid.org/0009-0003-1736-7431"},"institutions":[{"id":"https://openalex.org/I4210142352","display_name":"Laborat\u00f3rio Nacional de Computa\u00e7\u00e3o Cient\u00edfica","ror":"https://ror.org/0498ekt05","country_code":"BR","type":"government","lineage":["https://openalex.org/I4210142352"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Marcelo M. Galheigo","raw_affiliation_strings":["Brazilian National Scientific Computing Laboratory, Petr\u00f3polis, Rio de Janeiro 25651-075, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Brazilian National Scientific Computing Laboratory, Petr\u00f3polis, Rio de Janeiro 25651-075, Brazil","institution_ids":["https://openalex.org/I4210142352"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023592035","display_name":"Ant\u00f4nio Tadeu A. Gomes","orcid":"https://orcid.org/0000-0002-0746-4014"},"institutions":[{"id":"https://openalex.org/I4210142352","display_name":"Laborat\u00f3rio Nacional de Computa\u00e7\u00e3o Cient\u00edfica","ror":"https://ror.org/0498ekt05","country_code":"BR","type":"government","lineage":["https://openalex.org/I4210142352"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Ant\u00f4nio T. A. Gomes","raw_affiliation_strings":["Brazilian National Scientific Computing Laboratory, Petr\u00f3polis, Rio de Janeiro 25651-075, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Brazilian National Scientific Computing Laboratory, Petr\u00f3polis, Rio de Janeiro 25651-075, Brazil","institution_ids":["https://openalex.org/I4210142352"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086599258","display_name":"Hugo Verli","orcid":"https://orcid.org/0000-0002-4796-8620"},"institutions":[{"id":"https://openalex.org/I130442723","display_name":"Universidade Federal do Rio Grande do Sul","ror":"https://ror.org/041yk2d64","country_code":"BR","type":"education","lineage":["https://openalex.org/I130442723"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Hugo Verli","raw_affiliation_strings":["Center for Biotechnology, Federal University of Rio Grande do Sul, Rio Grande do Sul 91500-970, Brazil"],"raw_orcid":"https://orcid.org/0000-0002-4796-8620","affiliations":[{"raw_affiliation_string":"Center for Biotechnology, Federal University of Rio Grande do Sul, Rio Grande do Sul 91500-970, Brazil","institution_ids":["https://openalex.org/I130442723"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086065566","display_name":"Thereza A. Soares","orcid":"https://orcid.org/0000-0002-5891-6906"},"institutions":[{"id":"https://openalex.org/I25112270","display_name":"Universidade Federal de Pernambuco","ror":"https://ror.org/047908t24","country_code":"BR","type":"education","lineage":["https://openalex.org/I25112270"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Thereza A. Soares","raw_affiliation_strings":["Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, Pernambuco 50740-640, Brazil"],"raw_orcid":"https://orcid.org/0000-0002-5891-6906","affiliations":[{"raw_affiliation_string":"Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, Pernambuco 50740-640, Brazil","institution_ids":["https://openalex.org/I25112270"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5000264971","display_name":"Roberto D. Lins","orcid":"https://orcid.org/0000-0002-3983-8025"},"institutions":[{"id":"https://openalex.org/I52325","display_name":"Funda\u00e7\u00e3o Oswaldo Cruz","ror":"https://ror.org/04jhswv08","country_code":"BR","type":"facility","lineage":["https://openalex.org/I52325"]}],"countries":["BR"],"is_corresponding":true,"raw_author_name":"Roberto D. Lins","raw_affiliation_strings":["Aggeu Magalh\u00e3es Institute, Oswaldo Cruz Foundation, Recife, Pernambuco 50740-465, Brazil"],"raw_orcid":"https://orcid.org/0000-0002-3983-8025","affiliations":[{"raw_affiliation_string":"Aggeu Magalh\u00e3es Institute, Oswaldo Cruz Foundation, Recife, Pernambuco 50740-465, Brazil","institution_ids":["https://openalex.org/I52325"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5000264971"],"corresponding_institution_ids":["https://openalex.org/I52325"],"apc_list":null,"apc_paid":null,"fwci":0.3344,"has_fulltext":true,"cited_by_count":7,"citation_normalized_percentile":{"value":0.58207067,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":97},"biblio":{"volume":"60","issue":"12","first_page":"5923","last_page":"5927"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9994999766349792,"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":0.9994999766349792,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9983999729156494,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9970999956130981,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/dihedral-angle","display_name":"Dihedral angle","score":0.8039193153381348},{"id":"https://openalex.org/keywords/force-field","display_name":"Force field (fiction)","score":0.6837188005447388},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6040693521499634},{"id":"https://openalex.org/keywords/formalism","display_name":"Formalism (music)","score":0.5921544432640076},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.5100277066230774},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.4216534495353699},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.4129326045513153},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.23470544815063477},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.20719072222709656},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.18144556879997253},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.12005984783172607},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.0867893397808075}],"concepts":[{"id":"https://openalex.org/C89025888","wikidata":"https://www.wikidata.org/wiki/Q911907","display_name":"Dihedral angle","level":4,"score":0.8039193153381348},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.6837188005447388},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6040693521499634},{"id":"https://openalex.org/C73301696","wikidata":"https://www.wikidata.org/wiki/Q5469984","display_name":"Formalism (music)","level":3,"score":0.5921544432640076},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.5100277066230774},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.4216534495353699},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.4129326045513153},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.23470544815063477},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.20719072222709656},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.18144556879997253},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.12005984783172607},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0867893397808075},{"id":"https://openalex.org/C142362112","wikidata":"https://www.wikidata.org/wiki/Q735","display_name":"Art","level":0,"score":0.0},{"id":"https://openalex.org/C558565934","wikidata":"https://www.wikidata.org/wiki/Q2743","display_name":"Musical","level":2,"score":0.0},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0},{"id":"https://openalex.org/C153349607","wikidata":"https://www.wikidata.org/wiki/Q36649","display_name":"Visual arts","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003201","descriptor_name":"Computers","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003201","descriptor_name":"Computers","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003201","descriptor_name":"Computers","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016018","descriptor_name":"Least-Squares Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016018","descriptor_name":"Least-Squares Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016018","descriptor_name":"Least-Squares Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/acs.jcim.0c01168","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c01168","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:33213140","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33213140","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":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:www.arca.fiocruz.br:icict/57694","is_oa":true,"landing_page_url":"https://www.arca.fiocruz.br/handle/icict/57694","pdf_url":"https://www.arca.fiocruz.br/bitstream/icict/57694/2/Rotational%20Profiler%20A%20Fast%2c%20Automated%2c%20and%20Interactive%20Server%20to%20Derive%20Torsional%20Dihedral%20Potentials%20for%20Classical%20Molecular%20Simulations.pdf","source":{"id":"https://openalex.org/S4306402641","display_name":"LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Cient\u00edficas)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4383465926","host_organization_name":"LA Referencia","host_organization_lineage":["https://openalex.org/I4383465926"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"reponame:Reposit\u00f3rio Institucional da FIOCRUZ (ARCA)","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:oai:arca.fiocruz.br:icict/57694","is_oa":true,"landing_page_url":"https://arca.fiocruz.br/handle/icict/57694","pdf_url":null,"source":{"id":"https://openalex.org/S7407055450","display_name":"Arca - Reposit\u00f3rio Institucional da Fiocruz","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"journal article"}],"best_oa_location":{"id":"pmh:oai:www.arca.fiocruz.br:icict/57694","is_oa":true,"landing_page_url":"https://www.arca.fiocruz.br/handle/icict/57694","pdf_url":"https://www.arca.fiocruz.br/bitstream/icict/57694/2/Rotational%20Profiler%20A%20Fast%2c%20Automated%2c%20and%20Interactive%20Server%20to%20Derive%20Torsional%20Dihedral%20Potentials%20for%20Classical%20Molecular%20Simulations.pdf","source":{"id":"https://openalex.org/S4306402641","display_name":"LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Cient\u00edficas)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4383465926","host_organization_name":"LA Referencia","host_organization_lineage":["https://openalex.org/I4383465926"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"reponame:Reposit\u00f3rio Institucional da FIOCRUZ (ARCA)","raw_type":"info:eu-repo/semantics/publishedVersion"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy","score":0.8799999952316284}],"awards":[{"id":"https://openalex.org/G134464428","display_name":null,"funder_award_id":"2014-01","funder_id":"https://openalex.org/F4320321091","funder_display_name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior"},{"id":"https://openalex.org/G1725239572","display_name":null,"funder_award_id":"465259/2014-6","funder_id":"https://openalex.org/F4320322025","funder_display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico"},{"id":"https://openalex.org/G1959938030","display_name":null,"funder_award_id":"88882.160170/2014-01","funder_id":"https://openalex.org/F4320321091","funder_display_name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior"},{"id":"https://openalex.org/G2900585495","display_name":null,"funder_award_id":"APQ-0346-2.09/19","funder_id":"https://openalex.org/F4320323678","funder_display_name":"Funda\u00e7\u00e3o de Amparo \u00e0 Ci\u00eancia e Tecnologia do Estado de Pernambuco"},{"id":"https://openalex.org/G3364820047","display_name":null,"funder_award_id":"2019-8","funder_id":"https://openalex.org/F4320322025","funder_display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico"},{"id":"https://openalex.org/G3863842419","display_name":null,"funder_award_id":"VPPIS-001-FIO-18-39","funder_id":"https://openalex.org/F4320323918","funder_display_name":"Centro de Pesquisas Aggeu Magalh\u00e3es, Funda\u00e7\u00e3o Oswaldo Cruz"},{"id":"https://openalex.org/G5636062405","display_name":null,"funder_award_id":"425997/2018-9; 400738/2019-8","funder_id":"https://openalex.org/F4320322025","funder_display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico"},{"id":"https://openalex.org/G6896052170","display_name":null,"funder_award_id":"465259/2014-6","funder_id":"https://openalex.org/F4320330071","funder_display_name":"Instituto Nacional de Ci\u00eancia e Tecnologia de Fluidos Complexos"},{"id":"https://openalex.org/G8262246763","display_name":null,"funder_award_id":"88882","funder_id":"https://openalex.org/F4320321091","funder_display_name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior"}],"funders":[{"id":"https://openalex.org/F4320321091","display_name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","ror":"https://ror.org/00x0ma614"},{"id":"https://openalex.org/F4320322025","display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","ror":"https://ror.org/03swz6y49"},{"id":"https://openalex.org/F4320323678","display_name":"Funda\u00e7\u00e3o de Amparo \u00e0 Ci\u00eancia e Tecnologia do Estado de Pernambuco","ror":"https://ror.org/02te5rf52"},{"id":"https://openalex.org/F4320323917","display_name":"Funda\u00e7\u00e3o Oswaldo Cruz","ror":"https://ror.org/04jhswv08"},{"id":"https://openalex.org/F4320323918","display_name":"Centro de Pesquisas Aggeu Magalh\u00e3es, Funda\u00e7\u00e3o Oswaldo Cruz","ror":"https://ror.org/04jhswv08"},{"id":"https://openalex.org/F4320330071","display_name":"Instituto Nacional de Ci\u00eancia e Tecnologia de Fluidos Complexos","ror":"https://ror.org/03xqexp83"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3098396065.pdf","grobid_xml":"https://content.openalex.org/works/W3098396065.grobid-xml"},"referenced_works_count":19,"referenced_works":["https://openalex.org/W1607501108","https://openalex.org/W1982414593","https://openalex.org/W2021490608","https://openalex.org/W2029753005","https://openalex.org/W2045596349","https://openalex.org/W2071281986","https://openalex.org/W2112959255","https://openalex.org/W2122929451","https://openalex.org/W2145631950","https://openalex.org/W2150789776","https://openalex.org/W2157553215","https://openalex.org/W2330362920","https://openalex.org/W2411580022","https://openalex.org/W2788627723","https://openalex.org/W2799993063","https://openalex.org/W2801621570","https://openalex.org/W2909866166","https://openalex.org/W2989770770","https://openalex.org/W3001300383"],"related_works":["https://openalex.org/W2128884622","https://openalex.org/W2112380088","https://openalex.org/W1715467939","https://openalex.org/W4318816969","https://openalex.org/W2161756346","https://openalex.org/W1977613337","https://openalex.org/W2075921262","https://openalex.org/W2300182960","https://openalex.org/W2338444630","https://openalex.org/W1990619265"],"abstract_inverted_index":{"Rotational":[0,73],"Profiler":[1,74],"provides":[2],"an":[3,16,93],"analytical":[4],"algorithm":[5],"to":[6,20,63,77],"compute":[7],"sets":[8,65],"of":[9,66],"classical":[10],"torsional":[11],"dihedral":[12],"parameters":[13,67],"by":[14,30],"fitting":[15],"empirical":[17],"energy":[18],"profile":[19],"a":[21,102],"reference":[22],"one":[23],"that":[24,68],"can":[25],"be":[26],"obtained":[27],"experimentally":[28],"or":[29],"quantum-mechanical":[31],"methods.":[32],"The":[33,56,84],"resulting":[34],"profiles":[35],"are":[36],"compatible":[37],"with":[38],"the":[39,43,71],"functional":[40],"forms":[41],"in":[42,92],"most":[44],"widely":[45],"used":[46,62],"biomolecular":[47],"force":[48,81],"fields":[49],"(e.g.,":[50],"GROMOS,":[51],"AMBER,":[52],"OPLS,":[53],"and":[54,80,89,95],"CHARMM).":[55],"linear":[57],"least-squares":[58],"regression":[59],"method":[60],"is":[61,75,86,98],"generate":[64],"best":[69],"satisfy":[70],"fitting.":[72],"free":[76],"use,":[78],"analytical,":[79],"field/package":[82],"independent.":[83],"formalism":[85],"herein":[87],"described,":[88],"its":[90],"usage,":[91],"interactive":[94],"automated":[96],"manner,":[97],"made":[99],"available":[100],"as":[101],"Web":[103],"server":[104],"at":[105],"http://rotprof.lncc.br.":[106]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}