Mesoscopic model applied to DNA/TNA hybrids and DNA in solutions containing Mg2+

MIM Foscarini - 2022 - repositorio.ufmg.br
When the double-stranded helix of nucleic acids is influenced by conditions such as
increase the temperature of the solution, change pH and chemical agent (formamide …

Cation valence dependence of hydrogen bond and stacking potentials in DNA mesoscopic models

MI Muniz, AH Bustos, S Slott, K Astakhova… - Biophysical …, 2023 - Elsevier
Monovalent and divalent cations play a crucial role in living cells and for molecular
techniques such as PCR. Here we evaluate DNA melting temperatures in magnesium (Mg …

[HTML][HTML] DNA/TNA mesoscopic modeling of melting temperatures suggests weaker hydrogen bonding of CG than in DNA/RNA

MI Muniz, HH Lackey, JM Heemstra, G Weber - Chemical Physics Letters, 2020 - Elsevier
TNA/DNA hybrids share several similarities to RNA/DNA, such as the tendency to form A-
type helices and a strong dependency of their thermodynamic properties on …

The interaction of Na (I), Ca (II), and Mg (II) metal ions with duplex DNA: A theoretical modeling study

DM York, T Darden, D Deerfield… - International Journal of …, 1992 - Wiley Online Library
DNA is a negatively charged biopolymer composed of monomeric nucleotides each carrying
on average a net (− 1) charge concentrated in the region of the phosphate backbone. In …

[HTML][HTML] DNA/RNA hybrid mesoscopic model shows strong stability dependence with deoxypyrimidine content and stacking interactions similar to RNA/RNA

E de Oliveira Martins, VB Barbosa, G Weber - Chemical Physics Letters, 2019 - Elsevier
Despite the importance of DNA/RNA hybrids, a mesoscopic approach is still missing. We
developed a mesoscopic model for DNA/RNA hybrids and obtained the complete …

Thermodynamics of site-specific small molecular ion interactions with DNA duplex: a molecular dynamics study

S Ghosh, MK Dixit, R Chakrabarti - Molecular Simulation, 2016 - Taylor & Francis
The stability and dynamics of a double-stranded DNA (dsDNA) is affected by the preferential
occupancy of small monovalent molecular ions. Small metal and molecular ions such as …

Molecular thermodynamic model for DNA melting in ionic and crowded solutions

Y Liu, F Kermanpour, HL Liu, Y Hu… - The Journal of …, 2010 - ACS Publications
A molecular thermodynamic model is developed to predict DNA melting in ionic and
crowded solutions. Each pair of nucleotides in the double-stranded DNA and each …

Molecular Dynamics Investigations on Base Sequence Specificity of Counterion Binding to DNA

A Atzori, S Liggi, A Laaksonen, A Lyubartsev, G Saba… - Biophysical …, 2012 - cell.com
DNA is a highly charged polyanion, whose structure, flexibility and biological functionality
are strongly influenced by the interactions with solvent and counterions. In recent years it …

Sequence effects on Mg+ 2 Ion mediated DNA-DNA interactions

A Srivastava, R Timsina, SM Dewage, X Qiu… - Biophysical …, 2019 - cell.com
Ion mediated interactions between nucleic acids helices are essential for their efficient
packaging within tight spaces such as viral capsids, sperm heads, and cell nuclei. However …

Predicting stability of DNA duplexes in solutions containing magnesium and monovalent cations

R Owczarzy, BG Moreira, Y You, MA Behlke… - Biochemistry, 2008 - ACS Publications
Accurate predictions of DNA stability in physiological and enzyme buffers are important for
the design of many biological and biochemical assays. We therefore investigated the effects …