Outputs (2)

Theory and simulations for RNA folding in mixtures of monovalent and divalent cations (2019)
Journal Article
Nguyen, H. T., Hori, N., & Thirumalai, D. (2019). Theory and simulations for RNA folding in mixtures of monovalent and divalent cations. Proceedings of the National Academy of Sciences, 116(42), 21022-21030. https://doi.org/10.1073/pnas.1911632116

RNA molecules require ions to fold. The problem of how ions of differing sizes and valences drive the folding of RNA molecules is unsolved. Here, we take a major step in its solution by creating a method, based on the theory of polyatomic liquids, to... Read More about Theory and simulations for RNA folding in mixtures of monovalent and divalent cations.

Molecular Simulations of Ion Effects on the Thermodynamics of RNA Folding (2018)
Journal Article
Denesyuk, N. A., Hori, N., & Thirumalai, D. (2018). Molecular Simulations of Ion Effects on the Thermodynamics of RNA Folding. Journal of Physical Chemistry B, 122(50), 11860-11867. https://doi.org/10.1021/acs.jpcb.8b08142

How ions affect RNA folding thermodynamics and kinetics is an important but a vexing problem that remains unsolved. Experiments have shown that the free-energy change, δG(c), of RNA upon folding varies with the salt concentration (c) as, δG(c) = k c... Read More about Molecular Simulations of Ion Effects on the Thermodynamics of RNA Folding.