DFT and MP2 investigations on the hydrogen bonding interaction between 5,6-dihydrothymine and dna bases: A, C, G, T

[1]  K. Diao,et al.  Hydrogen-bonding interaction of urea with DNA bases: A density functional theory study , 2011 .

[2]  Y. Naberukhin,et al.  Potential of hydrogen bond in water. Comparison of the theory with vibrational spectra and results of molecular dynamics simulations. , 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[3]  Haijun Wang,et al.  The effect of oxidation on the stability of G:C base pair: a MP2 study , 2010 .

[4]  Haijun Wang,et al.  MP2 study on the hydrogen-bonding interactions between 4-thiouracil and four RNA bases , 2010 .

[5]  M. Aida,et al.  Thermally induced double proton transfer in GG and wobble GT base pairs: A possible origin of the mutagenic guanine , 2008 .

[6]  D. Volk,et al.  Base-pairing properties of the oxidized cytosine derivative, 5-hydroxy uracil. , 2008, Biochemical and biophysical research communications.

[7]  D. Bhattacharyya,et al.  Theoretical analysis of noncanonical base pairing interactions in RNA molecules , 2007, Journal of Biosciences.

[8]  Harjinder Singh,et al.  Base pairing in RNA structures: A computational analysis of structural aspects and interaction energies , 2007 .

[9]  Ralf Blossey,et al.  Performance of DFT/MPWB1K for stacking and H-bonding interactions , 2007 .

[10]  R. Parthasarathi,et al.  Hydrogen bonding of DNA base pairs and information entropy: From molecular electron density perspective , 2006 .

[11]  G. Villani.  Theoretical investigation of hydrogen transfer mechanism in the guanine-cytosine base pair , 2005 .

[12]  J. Grunenberg.  Direct assessment of interresidue forces in Watson-Crick base pairs using theoretical compliance constants. , 2004, Journal of the American Chemical Society.

[13]  J. Wallace,et al.  Dihydrothymine lesion in X‐irradiated DNA: characterization at the molecular level and detection in cells , 2004, International journal of radiation biology.

[14]  Pavel Hobza,et al.  True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experiment. , 2003, Journal of the American Chemical Society.

[15]  J. Reynisson,et al.  DFT studies on the pairing abilities of the one-electron reduced or oxidized adenine–thymine base pair , 2002 .

[16]  J. Šponer,et al.  The Influence of the Thymine C5 Methyl Group on Spontaneous Base Pair Breathing in DNA* , 2002, The Journal of Biological Chemistry.

[17]  M. Sekine,et al.  The hydrogen bond energy on mismatched base pair formation between uracil derivatives and guanine in the gas phase and in the aqueous phase , 2000 .

[18]  J. Elguero,et al.  Bond Length–Electron Density Relationships: From Covalent Bonds to Hydrogen Bond Interactions , 1998 .

[19]  P Hobza,et al.  Hydrogen bonding and stacking of DNA bases: a review of quantum-chemical ab initio studies. , 1996, Journal of biomolecular structure & dynamics.

[20]  J. V. Lenthe,et al.  State of the Art in Counterpoise Theory , 1994 .

[21]  R. Bader,et al.  A quantum theory of molecular structure and its applications , 1991 .

[22]  N C Seeman,et al.  RNA double-helical fragments at atomic resolution. II. The crystal structure of sodium guanylyl-3',5'-cytidine nonahydrate. , 1976, Journal of molecular biology.

[23]  Jerzy Leszczynski,et al.  Electronic properties, hydrogen bonding, stacking, and cation binding of DNA and RNA bases , 2001, Biopolymers.