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Journal of Biomolecular Structure and Dynamics Volume 20, 2003 - Issue 6
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Original Articles

Theoretical ab Initio Study of the Effects of Methylation on Structure and Stability of G:C Watson-Crick Base Pair

Gareth Forde Computational Center for Molecular Structure and Interactions, Jackson State University, Jackson, MS, 39217, USA
,
Aviane Flood Computational Center for Molecular Structure and Interactions, Jackson State University, Jackson, MS, 39217, USA
,
Latasha Salter Computational Center for Molecular Structure and Interactions, Jackson State University, Jackson, MS, 39217, USA
,
Glake Hill Computational Center for Molecular Structure and Interactions, Jackson State University, Jackson, MS, 39217, USA
,
Leonid Gorb Computational Center for Molecular Structure and Interactions, Jackson State University, Jackson, MS, 39217, USA
&
Jerzy Leszczynski Computational Center for Molecular Structure and Interactions, Jackson State University, Jackson, MS, 39217, USA
Pages 811-817 | Received 27 Feb 2003, Published online: 15 May 2012

Citations (18)

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Kanika Bhattacharjee, P. C. Mishra & P. K. Shukla. (2017) Mechanism of methylation of 8-oxoguanine due to its reaction with methyldiazonium ion. Molecular Simulation 43:3, pages 196-204.
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Aviane Flood, Curinetha Hubbard, Gareth Forde, Glake Hill, Leonid Gorb & Jerzy Leszczynski. (2003) Theoretical Ab Initio Study of the Effects of Methylation on the Nature of Hydrogen Bonding in A:T Base Pair. Journal of Biomolecular Structure and Dynamics 21:2, pages 297-302.
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Articles from other publishers (16)

Deepika Kagra, Amanpreet Singh Mahmi, N. V. Suresh Kumar, Preethi Seelam Prabhakar & Purshotam Sharma. (2021) Influence of the Number, Nature and Position of Methyl Posttranscriptional Modifications on Nucleobase Stacking in RNA. ChemPhysChem 22:15, pages 1622-1630.
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Swarnadeep Biswas & Pradeep Kumar Shukla. (2021) Effect of N7-methylation on base pairing patterns of guanine: a DFT study. Journal of Molecular Modeling 27:6.
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Cesaré Ovando‐Vázquez, Daniel Salgado‐Blanco & Florentino López‐Urías. (2020) Nanoscale Properties of the Methylation in GpC Dinucleotide Systems. ChemistrySelect 5:28, pages 8616-8624.
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Lindey R. Felske, Stefan A. P. Lenz & Stacey D. Wetmore. (2017) Quantum Chemical Studies of the Structure and Stability of N-Methylated DNA Nucleobase Dimers: Insights into the Mutagenic Base Pairing of Damaged DNA. The Journal of Physical Chemistry A 122:1, pages 410-419.
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Tejeshwori Salam, S. Premila Devi & R.H. Duncan Lyngdoh. (2018) Molecular criteria for mutagenesis by DNA methylation: Some computational elucidations. Mutation Research/Fundamental and Molecular Mechanisms of Mutagenesis 807, pages 10-20.
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Claudia G. Giribet & Martín C. Ruiz de Azúa. (2017) IPPP-CLOPPA Analysis of the Influence of the Methylation on the Potential Energy and the Molecular Polarizability of the Hydrogen Bonds in the Cytosine–Guanine Base Pair. The Journal of Physical Chemistry A 121:15, pages 2960-2970.
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R. Grüber, J. Aranda, A. Bellili, I. Tuñón & E. Dumont. (2017) Free energy profiles for two ubiquitous damaging agents: methylation and hydroxylation of guanine in B-DNA. Physical Chemistry Chemical Physics 19:22, pages 14695-14701.
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Giovanni Villani. (2015) Effect of Methylation on the Properties of the H-Bridges in DNA. A Systematic Theoretical Study on the Couples of Base Pairs. The Journal of Physical Chemistry B 119:25, pages 7931-7943.
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Zai Ming Qiu, Hua Li Wang, Yan Zhao Liu & Da Nian Hou. (2013) MP2 study on the hydrogen-bonding interaction between O 4-methylthymine and DNA bases: A, C, G, and T. Structural Chemistry 25:3, pages 767-774.
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Pradeep Kumar Shukla & P.C. Mishra. (2013) Base pairing patterns of DNA base lesion spiroiminodihydantoin: A DFT study. International Journal of Quantum Chemistry 113:24, pages 2600-2604.
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Shi-Wen Yu, Li-Feng Yao, Xue-Fei Lin & Si-Ya Yang. (2011) Theoretical studies on the reactions of thymine with six methylating agents. Computational and Theoretical Chemistry 972:1-3, pages 25-31.
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P.K. Shukla, Vinay Ganapathy & P.C. Mishra. (2011) A quantum theoretical study of reactions of methyldiazonium ion with DNA base pairs. Chemical Physics 388:1-3, pages 31-37.
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P. K. Shukla & P. C. Mishra. 2010. Practical Aspects of Computational Chemistry. Practical Aspects of Computational Chemistry 415 443 .
Chun-Lin Lv, Yong Dong Liu & Ru Gang Zhong. (2007) Theoretical investigation of the decomposition mechanisms of N-(2-chloroethyl)-N-nitrosourea. Theoretical Chemistry Accounts 118:5-6, pages 973-978.
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Mattanjah S. de VriesPavel Hobza. (2007) Gas-Phase Spectroscopy of Biomolecular Building Blocks. Annual Review of Physical Chemistry 58:1, pages 585-612.
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P. K. Shukla, P. C. Mishra & S. Suhai. (2006) Reactions of guanine with methyl chloride and methyl bromide: O6‐methylation versus charge transfer complex formation. International Journal of Quantum Chemistry 107:5, pages 1270-1283.
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