Relative flexibility of DNA and RNA: a molecular dynamics study |
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Authors: | Noy Agnes Pérez Alberto Lankas Filip Javier Luque F Orozco Modesto |
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Institution: | Molecular Modeling and Bioinformatics Unit, Institut de Recerca Biomèdica, Parc Científic de Barcelona, Josep Samitier 1-5, Barcelona 08028, Spain. |
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Abstract: | State of the art molecular dynamics simulations are used to study the structure, dynamics, molecular interaction properties and flexibility of DNA and RNA duplexes in aqueous solution. Special attention is paid to the deformability of both types of structures, revisiting concepts on the relative flexibility of DNA and RNA duplexes. Our simulations strongly suggest that the concepts of flexibility, rigidity and deformability are much more complex than usually believed, and that it is not always true that DNA is more flexible than RNA. |
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Keywords: | DNA RNA flexibility molecular dynamics similarity indexes |
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