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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TLDR
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Structure of triplex DNA in the gas phase.
TLDR
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.
Properties of triple helices formed by parallel-stranded hairpins containing 8-aminopurines.
TLDR
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.
Dynamical treatment of charge transfer through duplex nucleic acids containing modified adenines.
TLDR
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.
Ab initio studies on the H-bonding of hypoxanthine and DNA bases
Novel and interesting points are underlined by ab initio (QM) calculations of H-bonding of all the six nucleobase dimers of hypoxanthine and DNA bases, namely Hypanti⋯Asyn, Hypanti⋯Aanti,
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