Literature DB >> 21369937

Localization and anharmonicity of the vibrational modes for GC Watson-Crick and Hoogsteen base pairs.

Attila Bende1, Diana Bogdan, Cristina M Muntean, Cristian Morari.   

Abstract

We present an ab initio study of the vibrational properties of cytosine and guanine in the Watson-Crick and Hoogsteen base pair configurations. The results are obtained by using two different implementations of the DFT method. We assign the vibrational frequencies to cytosine or to guanine using the vibrational density of states. Next, we investigate the importance of anharmonic corrections for the vibrational modes. In particular, the unusual anharmonic effect of the H(+) vibration in the case of the Hoogsteen base pair configuration is discussed.

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Year:  2011        PMID： 21369937     DOI： 10.1007/s00894-011-1002-y

Source DB:  PubMed          Journal:  J Mol Model        ISSN： 0948-5023            Impact factor:   1.810


  22 in total

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9.  Pairing of isolated nucleic-acid bases in the absence of the DNA backbone.

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10.  Far-infrared vibrational modes of DNA components studied by terahertz time-domain spectroscopy.

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  4 in total

1.  Robust IR-based detection of stable and fractionally populated G-C+ and A-T Hoogsteen base pairs in duplex DNA.

Authors:  Allison L Stelling; Yu Xu; Huiqing Zhou; Seung H Choi; Mary C Clay; Dawn K Merriman; Hashim M Al-Hashimi
Journal:  FEBS Lett       Date:  2017-06-19       Impact factor: 4.124

2.  The influence of anharmonic and solvent effects on the theoretical vibrational spectra of the guanine-cytosine base pairs in Watson-Crick and Hoogsteen configurations.

Authors:  Attila Bende; Cristina M Muntean
Journal:  J Mol Model       Date:  2014-02-25       Impact factor: 1.810

3.  Binding effects of Mn²⁺ and Zn²⁺ ions on the vibrational properties of guanine-cytosine base pairs in the Watson-Crick and Hoogsteen configurations.

Authors:  Cristian Morari; Diana Bogdan; Cristina M Muntean
Journal:  J Mol Model       Date:  2012-06-10       Impact factor: 1.810

4.  DFT investigation of the vibrational properties of GC Watson-Crick and Hoogsteen base pairs in the presence of Mg²⁺, Ca²⁺, and Cu²⁺ ions.

Authors:  Cristian Morari; Cristina M Muntean; Carmen Tripon; Luiza Buimaga-Iarinca; Adrian Calborean
Journal:  J Mol Model       Date:  2014-04-13       Impact factor: 1.810
  4 in total

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