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Mesoscopic model parametrization of hydrogen bonds and stacking interactions of RNA from melting temperatures

Information about molecular interactions in DNA can be obtained from experimental melting temperature data by using mesoscopic statistical physics models. Here, we extend the technique to RNA and show that the new parameters correctly reproduce known properties such as the stronger hydrogen bonds of...

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Autor principal: Weber, Gerald
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3592459/
https://www.ncbi.nlm.nih.gov/pubmed/23087379
http://dx.doi.org/10.1093/nar/gks964
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author Weber, Gerald
author_facet Weber, Gerald
author_sort Weber, Gerald
collection PubMed
description Information about molecular interactions in DNA can be obtained from experimental melting temperature data by using mesoscopic statistical physics models. Here, we extend the technique to RNA and show that the new parameters correctly reproduce known properties such as the stronger hydrogen bonds of AU base pairs. We also were able to calculate a complete set of elastic constants for all 10 irreducible combinations of nearest neighbours (NNs). We believe that this is particularly useful as experimentally derived information about RNA elasticity is relatively scarce. The melting temperature prediction using the present model improves over those from traditional NN model, providing thus an alternative way to calculate these temperatures for RNA. Additionally, we calculated the site-dependent base pair oscillation to explain why RNA shows larger oscillation amplitudes despite having stronger AU hydrogen bonds.
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spelling pubmed-35924592013-03-08 Mesoscopic model parametrization of hydrogen bonds and stacking interactions of RNA from melting temperatures Weber, Gerald Nucleic Acids Res Methods Online Information about molecular interactions in DNA can be obtained from experimental melting temperature data by using mesoscopic statistical physics models. Here, we extend the technique to RNA and show that the new parameters correctly reproduce known properties such as the stronger hydrogen bonds of AU base pairs. We also were able to calculate a complete set of elastic constants for all 10 irreducible combinations of nearest neighbours (NNs). We believe that this is particularly useful as experimentally derived information about RNA elasticity is relatively scarce. The melting temperature prediction using the present model improves over those from traditional NN model, providing thus an alternative way to calculate these temperatures for RNA. Additionally, we calculated the site-dependent base pair oscillation to explain why RNA shows larger oscillation amplitudes despite having stronger AU hydrogen bonds. Oxford University Press 2013-01 2012-10-18 /pmc/articles/PMC3592459/ /pubmed/23087379 http://dx.doi.org/10.1093/nar/gks964 Text en © The Author(s) 2012. Published by Oxford University Press. http://creativecommons.org/licenses/by-nc/3.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by-nc/3.0/), which permits non-commercial reuse, distribution, and reproduction in any medium, provided the original work is properly cited. For commercial re-use, please contact journals.permissions@oup.com.
spellingShingle Methods Online
Weber, Gerald
Mesoscopic model parametrization of hydrogen bonds and stacking interactions of RNA from melting temperatures
title Mesoscopic model parametrization of hydrogen bonds and stacking interactions of RNA from melting temperatures
title_full Mesoscopic model parametrization of hydrogen bonds and stacking interactions of RNA from melting temperatures
title_fullStr Mesoscopic model parametrization of hydrogen bonds and stacking interactions of RNA from melting temperatures
title_full_unstemmed Mesoscopic model parametrization of hydrogen bonds and stacking interactions of RNA from melting temperatures
title_short Mesoscopic model parametrization of hydrogen bonds and stacking interactions of RNA from melting temperatures
title_sort mesoscopic model parametrization of hydrogen bonds and stacking interactions of rna from melting temperatures
topic Methods Online
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3592459/
https://www.ncbi.nlm.nih.gov/pubmed/23087379
http://dx.doi.org/10.1093/nar/gks964
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