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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/64957
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dc.creatorIzabela Ferreira da Silvapt_BR
dc.creatorElizabeth A. Jolleypt_BR
dc.creatorBrent M. Znoskopt_BR
dc.creatorGerald Weberpt_BR
dc.date.accessioned2024-02-29T15:23:57Z-
dc.date.available2024-02-29T15:23:57Z-
dc.date.issued2019-
dc.citation.volume521pt_BR
dc.citation.spage69pt_BR
dc.citation.epage76pt_BR
dc.identifier.doihttps://doi.org/10.1016/j.chemphys.2019.01.016pt_BR
dc.identifier.issn1873-4421pt_BR
dc.identifier.urihttp://hdl.handle.net/1843/64957-
dc.description.resumoWe calculate the nearest-neighbour enthalpies and entropies at 5 salt concentrations of 18 RNA sequences, each for at least 9 different species concentrations, totalling 757 melting temperatures, using a melting temperature optimization method. These new parameters do not need to be salt-corrected and are shown to provide overall improved melting temperature predictions. They show a marked quadratic dependence with salt concentrations which are compensated to form linear Gibbs free energies. Two different parameter schemes were tested, with fixed or variable initial parameters. We have found that using variable initial parameters provides better predictive results than using salt correction factors and that the prediction uncertainty is considerably reduced for a validation set of independent sequences. An interpolation scheme is introduced to generate model parameters for arbitrary salt concentrations which performs better against a validation set than predictions using salt corrections.pt_BR
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológicopt_BR
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Geraispt_BR
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superiorpt_BR
dc.languageengpt_BR
dc.publisherUniversidade Federal de Minas Geraispt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentICX - DEPARTAMENTO DE FÍSICApt_BR
dc.publisher.initialsUFMGpt_BR
dc.relation.ispartofChemical Physics-
dc.rightsAcesso Restritopt_BR
dc.subjectRNA stabilitypt_BR
dc.subjectNearest-neighbour modelpt_BR
dc.subjectMelting temperature calculationpt_BR
dc.subject.otherÁcido ribonucleicopt_BR
dc.titleReplacing salt correction factors with optimized RNA nearest-neighbour enthalpy and entropy parameterspt_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://www.sciencedirect.com/science/article/pii/S0301010418311200?via%3Dihubpt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-6823-6218pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-2935-1571pt_BR
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