{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,4]],"date-time":"2025-11-04T16:11:05Z","timestamp":1762272665977,"version":"3.37.3"},"reference-count":20,"publisher":"American Chemical Society (ACS)","issue":"12","license":[{"start":{"date-parts":[[2020,11,19]],"date-time":"2020-11-19T00:00:00Z","timestamp":1605744000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2020,11,19]],"date-time":"2020-11-19T00:00:00Z","timestamp":1605744000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2020,11,19]],"date-time":"2020-11-19T00:00:00Z","timestamp":1605744000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100006162","name":"Funda??o de Amparo ? Ci?ncia e Tecnologia do Estado de Pernambuco","doi-asserted-by":"publisher","award":["APQ-0346-2.09\/19"],"award-info":[{"award-number":["APQ-0346-2.09\/19"]}],"id":[{"id":"10.13039\/501100006162","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100006508","name":"Centro de Pesquisas Aggeu Magalh?es, Funda??o Oswaldo Cruz","doi-asserted-by":"publisher","award":["VPPIS-001-FIO-18-39"],"award-info":[{"award-number":["VPPIS-001-FIO-18-39"]}],"id":[{"id":"10.13039\/501100006508","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico","doi-asserted-by":"publisher","award":["425997\/2018-9; 400738\/2019-8"],"award-info":[{"award-number":["425997\/2018-9; 400738\/2019-8"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior","doi-asserted-by":"publisher","award":["88882.160170\/2014-01"],"award-info":[{"award-number":["88882.160170\/2014-01"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Instituto Nacional de Ci?ncia e Tecnologia de Fluidos Complexos","award":["465259\/2014-6"],"award-info":[{"award-number":["465259\/2014-6"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2020,12,28]]},"DOI":"10.1021\/acs.jcim.0c01168","type":"journal-article","created":{"date-parts":[[2020,11,20]],"date-time":"2020-11-20T06:00:36Z","timestamp":1605852036000},"page":"5923-5927","source":"Crossref","is-referenced-by-count":6,"title":["Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations"],"prefix":"10.1021","volume":"60","author":[{"given":"Victor H.","family":"Rusu","sequence":"first","affiliation":[{"name":"Swiss National Supercomputing Centre, Lugano, Ticino 6900, Switzerland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Denys E. S.","family":"Santos","sequence":"additional","affiliation":[{"name":"Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, Pernambuco 50740-640, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9210-690X","authenticated-orcid":true,"given":"Marcelo D.","family":"Poleto","sequence":"additional","affiliation":[{"name":"Department of General Biology, Federal University of Vi\u00e7osa, Vi\u00e7osa, Minas Gerais 36570-000, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marcelo M.","family":"Galheigo","sequence":"additional","affiliation":[{"name":"Brazilian National Scientific Computing Laboratory, Petr\u00f3polis, Rio de Janeiro 25651-075, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ant\u00f4nio T. A.","family":"Gomes","sequence":"additional","affiliation":[{"name":"Brazilian National Scientific Computing Laboratory, Petr\u00f3polis, Rio de Janeiro 25651-075, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4796-8620","authenticated-orcid":true,"given":"Hugo","family":"Verli","sequence":"additional","affiliation":[{"name":"Center for Biotechnology, Federal University of Rio Grande do Sul, Rio Grande do Sul 91500-970, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5891-6906","authenticated-orcid":true,"given":"Thereza A.","family":"Soares","sequence":"additional","affiliation":[{"name":"Department of Fundamental Chemistry, Federal University of Pernambuco, Recife, Pernambuco 50740-640, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3983-8025","authenticated-orcid":true,"given":"Roberto D.","family":"Lins","sequence":"additional","affiliation":[{"name":"Aggeu Magalh\u00e3es Institute, Oswaldo Cruz Foundation, Recife, Pernambuco 50740-465, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2020,11,19]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200502655"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/j.carres.2009.08.019"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1007\/s00249-002-0269-4"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20275"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.89"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4939-1465-4_3"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1039\/C8CP00234G"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23721"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/ct300479h"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23775"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-018-21070-0"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-008-0305-0"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/ci500112w"},{"journal-title":"arXiv","year":"2014","author":"Aransay J.","key":"ref14\/cit14"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00904"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.8b10139"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2018.00395"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/ct300534j"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/ja00839a011"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00874"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.0c01168","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,26]],"date-time":"2023-04-26T03:38:04Z","timestamp":1682480284000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.0c01168"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,11,19]]},"references-count":20,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2020,12,28]]}},"alternative-id":["10.1021\/acs.jcim.0c01168"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.0c01168","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2020,11,19]]}}}