The effect of amino groups on the stability of DNA duplexes and triplexes based on purines derived from inosine.

@article{Cubero2001TheEO,
  title={The effect of amino groups on the stability of DNA duplexes and triplexes based on purines derived from inosine.},
  author={Elena Cubero and R G{\"u}imil-Garc{\'i}a and Francisco Javier Luque and Ram{\'o}n Eritja and Modesto Orozco},
  journal={Nucleic acids research},
  year={2001},
  volume={29 12},
  pages={
          2522-34
        }
}
The effect of amino groups attached at positions 2 and 8 of the hypoxanthine moiety in the structure, reactivity and stability of DNA duplexes and triplexes is studied by means of quantum mechanical calculations, as well as extended molecular dynamics (MD) and thermodynamic integration (MD/TI) simulations. Theoretical estimates of the change in stability related to 2'-deoxyguanosine (G) --> 2'-deoxyinosine (I) --> 8-amino-2'-deoxyinosine (8AI) mutations have been experimentally verified, after… 

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A computational characterization of the hydrogen-bonding and stacking interactions of hypoxanthine.

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Results argue against the generally assumed roles of the different physical interactions (solvent screening of phosphate repulsion, hydrophobic effect, and solvation of accessible polar groups) in modulating the stability of DNA structures.

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Hairpins carrying 8-aminopurines give very stable triple helical structures even at neutral pH, as confirmed by gel-shift experiments, circular dichroism and nuclear magnetic resonance spectroscopy.

Effects of strand and directional asymmetry on base–base coupling and charge transfer in double-helical DNA

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    Proceedings of the National Academy of Sciences of the United States of America
  • 2002
Mechanistic models of charge transfer (CT) in macromolecules often focus on CT energetics and distance as the chief parameters governing CT rates and efficiencies. However, in DNA, features unique to

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It is argued that the electronic structure and charge transfer ability of flexible polymers is the result of a complex intertwining of various structural, dynamical and chemical factors.

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