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Journal of Biomolecular Structure and Dynamics Volume 22, 2005 - Issue 4
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Original Articles

Post Hartree-Fock Studies of the Canonical Watson-Crick DNA Base Pairs: Molecular Structure and the Nature of Stability

Victor I. Danilov Institute of Molecular Biology and Genetics The National Academy of Sciences of Ukraine, Kiev-143, 03143, Ukraine
&
Victor M. Anisimov Department of Pharmaceutical Sciences, School of Pharmacy University of Maryland, 20 Penn Street, Baltimore, MD, 21201, USA
Pages 471-482 | Received 01 Jun 2004, Published online: 15 May 2012

Citations (22)

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Swati Panigrahi, Rahul Pal & Dhananjay Bhattacharyya. (2011) Structure and Energy of Non-Canonical Basepairs: Comparison of Various Computational Chemistry Methods with Crystallographic Ensembles. Journal of Biomolecular Structure and Dynamics 29:3, pages 541-556.
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Purshotam Sharma, Abhijit Mitra, Sitansh Sharma, Harjinder Singh & Dhananjay Bhattacharyya. (2008) Quantum Chemical Studies of Structures and Binding in Noncanonical RNA Base pairs: The Trans Watson-Crick:Watson-Crick Family. Journal of Biomolecular Structure and Dynamics 25:6, pages 709-732.
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Articles from other publishers (20)

A. K. Jissy, Sukanya Konar & Ayan Datta. (2013) Molecular Switching Behavior in Isosteric DNA Base Pairs . ChemPhysChem 14:6, pages 1219-1226.
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Ivonne Otero-Navas & Jorge M. Seminario. (2011) Molecular electrostatic potentials of DNA base–base pairing and mispairing. Journal of Molecular Modeling 18:1, pages 91-101.
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A. K. Jissy & Ayan Datta. (2010) Designing Molecular Switches Based on DNA-Base Mispairing. The Journal of Physical Chemistry B 114:46, pages 15311-15318.
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Zaiming Qiu, Yongmei Xia, Haijun Wang & Kaisheng Diao. (2009) Hydrogen-bonding interaction of 5,6-dihydrouracil with RNA bases: DFT and MP2 studies. Journal of Molecular Structure: THEOCHEM 915:1-3, pages 33-37.
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T Otsuka, T Miyazaki, T Ohno, D R Bowler & M J Gillan. (2008) Accuracy of order- N density-functional theory calculations on DNA systems using CONQUEST . Journal of Physics: Condensed Matter 20:29, pages 294201.
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Ashim Roy, Swati Panigrahi, Malyasri Bhattacharyya & Dhananjay Bhattacharyya. (2008) Structure, Stability, and Dynamics of Canonical and Noncanonical Base Pairs:  Quantum Chemical Studies. The Journal of Physical Chemistry B 112:12, pages 3786-3796.
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Maksym Volobuyev, Humberto Saint-Martin & Ludwik Adamowicz. (2007) A Molecular Dynamics Calculations of Hole Transfer Rates in DNA Strands. The Journal of Physical Chemistry B 111:37, pages 11083-11089.
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Purshotam Sharma, Abhijit Mitra, Sitansh Sharma & Harjinder Singh. (2008) Base pairing in RNA structures: A computational analysis of structural aspects and interaction energies. Journal of Chemical Sciences 119:5, pages 525-531.
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Dhananjay Bhattacharyya, Siv Chand Koripella, Abhijit Mitra, Vijay Babu Rajendran & Bhabdyuti Sinha. (2007) Theoretical analysis of noncanonical base pairing interactions in RNA molecules. Journal of Biosciences 32:S1, pages 809-825.
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Siamkhanthang Neihsial & R.H. Duncan Lyngdoh. (2007) Novel H-bonded base pairs as potential repeat units for information-bearing macromolecular duplexes: A B3LYP/6-31G∗ search. Journal of Molecular Structure: THEOCHEM 806:1-3, pages 213-221.
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Tomoki Yoshida & Misako Aida. (2007) BSSE-corrected Three-body Interaction Energy in the Recognition of GC Base Pair by Asparagine. Chemistry Letters 36:1, pages 124-125.
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D. Bandyopadhyay & D. Bhattacharyya. (2006) Estimation of strength in different extra Watson–Crick hydrogen bonds in DNA double helices through quantum chemical studies. Biopolymers 83:3, pages 313-325.
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Célia Fonseca Guerra, Tushar van der Wijst & F. Matthias Bickelhaupt. (2006) Nanoswitches Based on DNA Base Pairs: Why Adenin–Thymine is Less Suitable than Guanine–Cytosine. ChemPhysChem 7:9, pages 1971-1979.
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A. Alvarez, F. R. Romero, J. F.R. Archilla, J. Cuevas & P. V. Larsen. (2006) Breather trapping and breather transmission in a DNA model with an interface. The European Physical Journal B 51:1, pages 119-130.
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Célia Fonseca Guerra, Tushar van der Wijst & F. Matthias Bickelhaupt. (2006) Supramolecular Switches Based on the Guanine–Cytosine (GC) Watson–Crick Pair: Effect of Neutral and Ionic Substituents. Chemistry – A European Journal 12:11, pages 3032-3042.
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Lucie Zendlová, Pavel Hobza & Martin Kabeláč. (2006) Potential Energy Surfaces of the Microhydrated Guanine⋅⋅⋅Cytosine Base Pair and its Methylated Analogue. ChemPhysChem 7:2, pages 439-447.
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Victor I. Danilov, Victor M. Anisimov, Noriyuki Kurita & Dmytro Hovorun. (2005) MP2 and DFT studies of the DNA rare base pairs: The molecular mechanism of the spontaneous substitution mutations conditioned by tautomerism of bases. Chemical Physics Letters 412:4-6, pages 285-293.
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Brina BrauerR. Benny GerberMartin KabeláčPavel HobzaJoost M. BakkerAli G. Abo RiziqMattanjah S. de Vries. (2005) Vibrational Spectroscopy of the G· · ·C Base Pair:  Experiment, Harmonic and Anharmonic Calculations, and the Nature of the Anharmonic Couplings. The Journal of Physical Chemistry A 109:31, pages 6974-6984.
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Noriyuki Kurita, Victor I. Danilov & Victor M. Anisimov. (2005) The structure of Watson–Crick DNA base pairs obtained by MP2 optimization. Chemical Physics Letters 404:1-3, pages 164-170.
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V. I. Danilov, D. M. Hovorun & N. Kurita. (2005) The molecular mechanism of the spontaneous substitution mutations caused by tautomerism of bases: Post Hartree-Fock study of the DNA rare base pairs. Biopolymers and Cell 21:1, pages 70-79.
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