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Original Articles

Relationships among Rise, Cup, Roll and Stagger in DNA Suggested by Empirical Potential Studies of Base Stacking

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Pages 27-41 | Received 26 Nov 1991, Published online: 21 May 2012

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (4)

Svatava Neugebauerová & Jaroslav Kypr. (2000) Invariant and Variable Base Stacking Geometries in B-DNA and A-DNA. Journal of Biomolecular Structure and Dynamics 18:1, pages 73-81.
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Jiří Šponer, Jerzy Leszczynski, Vladimír Vetterl & Pavel Hobza. (1996) Base Stacking and Hydrogen Bonding in Protonated Cytosine Dimer: The Role of Molecular ion-dipole and Induction Interactions. Journal of Biomolecular Structure and Dynamics 13:4, pages 695-706.
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Jiří Šponer & Pavel Hobza. (1994) G.C. Base Pair in Parallel-Stranded DNA—A Novel Type of Base Pairing: An ab initio Quantum Chemical Study. Journal of Biomolecular Structure and Dynamics 12:3, pages 671-680.
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J. Sponer, R. Burcl & P. Hobza. (1994) Interactions Between Amino Groups in DNA. An Ab Initio Study and a Comparison with Empirical Potentials. Journal of Biomolecular Structure and Dynamics 11:6, pages 1357-1376.
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Articles from other publishers (23)

Asem Alenaizan. (2022) Helicene Structure between DNA and Cyanuric Acid: The Role of Noncovalent Interactions. The Journal of Physical Chemistry B 126:42, pages 8508-8514.
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Pavel Banáš, Arnošt Mládek, Michal Otyepka, Marie Zgarbová, Petr Jurečka, Daniel Svozil, Filip Lankaš & Jiří Šponer. (2012) Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics. Journal of Chemical Theory and Computation 8:7, pages 2448-2460.
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Jiří Šponer, Arnošt Mládek, Judit E. Šponer, Daniel Svozil, Marie Zgarbová, Pavel Banáš, Petr Jurečka & Michal Otyepka. (2012) The DNA and RNA sugar–phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies. Physical Chemistry Chemical Physics 14:44, pages 15257.
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Agnes NoyRamin Golestanian. (2010) The Chirality of DNA: Elasticity Cross-Terms at Base-Pair Level Including A-Tracts and the Influence of Ionic Strength. The Journal of Physical Chemistry B 114:23, pages 8022-8031.
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Claudio A. Morgado, Petr Jurečka, Daniel Svozil, Pavel Hobza & Jiří Šponer. (2010) Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions. Physical Chemistry Chemical Physics 12:14, pages 3522.
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Claudio A. Morgado, Petr Jurečka, Daniel Svozil, Pavel Hobza & Jiří Šponer. (2009) Balance of Attraction and Repulsion in Nucleic-Acid Base Stacking: CCSD(T)/Complete-Basis-Set-Limit Calculations on Uracil Dimer and a Comparison with the Force-Field Description. Journal of Chemical Theory and Computation 5:6, pages 1524-1544.
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Jiří Šponer, Petr Jurečka, Ivan Marchan, F. Javier Luque, Modesto Orozco & Pavel Hobza. (2006) Nature of Base Stacking: Reference Quantum‐Chemical Stacking Energies in Ten Unique B‐DNA Base‐Pair Steps. Chemistry – A European Journal 12:10, pages 2854-2865.
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D. Bharanidharan & N. Gautham. (2006) Principal component analysis of DNA oligonucleotide structural data. Biochemical and Biophysical Research Communications 340:4, pages 1229-1237.
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Sebastian Wärmländer, Judit E. Sponer, Jiři Sponer & Mikael Leijon. (2002) The Influence of the Thymine C5 Methyl Group on Spontaneous Base Pair Breathing in DNA. Journal of Biological Chemistry 277:32, pages 28491-28497.
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D. Sivanesan, V. Subramanian & B. U. Nair. (2001) Solvent effect on DNA base stacked dimers: An isodensity polarizable continuum model approach. International Journal of Quantum Chemistry 84:6, pages 750-758.
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D. Sivanesan, K. Babu, Shridhar R. Gadre, V. Subramanian & T. Ramasami. (2000) Does a Stacked DNA Base Pair Hydrate Better than a Hydrogen-Bonded One?:  An ab Initio Study. The Journal of Physical Chemistry A 104:46, pages 10887-10894.
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Filip Lankaš, Jiřı́ Šponer, Pavel Hobza & Jörg Langowski. (2000) Sequence-dependent elastic properties of DNA 1 1Edited by I. Tinoco. Journal of Molecular Biology 299:3, pages 695-709.
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Lukáš Trantı́rek, Richard Štefl, Michaela Vorlı́čková, Jaroslav Koča, Vladimı́r Sklenářář & Jaroslav Kypr. (2000) An A-type double helix of DNA having B-type puckering of the deoxyribose rings. Journal of Molecular Biology 297:4, pages 907-922.
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Pavel Hobza & Jiří Šponer. (1999) Structure, Energetics, and Dynamics of the Nucleic Acid Base Pairs:  Nonempirical Ab Initio Calculations . Chemical Reviews 99:11, pages 3247-3276.
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Xiang-Jun Lu & Wilma K Olson. (1999) Resolving the discrepancies among nucleic acid conformational analyses 1 1Edited by I. Tinoco. Journal of Molecular Biology 285:4, pages 1563-1575.
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Oleg V. Shishkin. (1998) Conformational flexibility of di- and tetrahydropyrimidine rings in nucleic acid bases. An ab initio study. Journal of Molecular Structure 447:1-2, pages 1-5.
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V. Subramanian, D. Sivanesan & T. Ramasami. (1998) The role of solvent on the base stacking properties of the stacked cytosine dimer. Chemical Physics Letters 290:1-3, pages 189-192.
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J. Šponer, J. Leszczynski & P. Hobza. (1997) Thioguanine and Thiouracil:  Hydrogen-Bonding and Stacking Properties. The Journal of Physical Chemistry A 101:49, pages 9489-9495.
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Masashi Suzuki, Naoki Amano, Jun Kakinuma & Masaru Tateno. (1997) Use of a 3D structure data base for understanding sequence-dependent conformational aspects of DNA. Journal of Molecular Biology 274:3, pages 421-435.
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Pavel Hobza & Jiří šponer. (1996) MP2 and CCSD(T) calculations on Hbonded and stacked formamide…formamide and formamidine…formamidine dimers. Journal of Molecular Structure: THEOCHEM 388, pages 115-120.
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Jire� Seponer, Jerzy Leszczynski & Pavel Hobza. (1996) Base stacking in cytosine dimer. A comparison of correlatedab initio calculations with three empirical potential models and density functional theory calculations. Journal of Computational Chemistry 17:7, pages 841-850.
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Ji?� ?poner & Pavel Hobza. (1996) DNA base amino groups and their role in molecular interactions: Ab initio and preliminary density functional theory calculations. International Journal of Quantum Chemistry 57:5, pages 959-970.
Crossref
Jiří Šponer, Jerzy Leszczyński & Pavel Hobza. (1996) Nature of Nucleic Acid−Base Stacking: Nonempirical ab Initio and Empirical Potential Characterization of 10 Stacked Base Dimers. Comparison of Stacked and H-Bonded Base Pairs. The Journal of Physical Chemistry 100:13, pages 5590-5596.
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