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Journal of Biomolecular Structure and Dynamics Volume 12, 1994 - Issue 2
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Original Articles

Geometries, Charges, Dipole Moments and Interaction Energies of Normal, Tautomeric and Novel Bases

S.-P. Jiang Laboratory of Mathematical Biology, National Cancer Institute National Institutes of Health, Bethesda, MD, 20892
,
G. Raghunathan Laboratory of Mathematical Biology, National Cancer Institute National Institutes of Health, Bethesda, MD, 20892
,
K.-L. Ting Laboratory of Mathematical Biology, National Cancer Institute National Institutes of Health, Bethesda, MD, 20892
,
J. C. Xuan Crystallography Laboratory National Cancer Institute-Frederick Cancer Research and Development Center, ABL-BRP, Frederick, MD, 21702
&
R. L. Jernigan Laboratory of Mathematical Biology, National Cancer Institute National Institutes of Health, Bethesda, MD, 20892
Pages 367-382 | Received 10 Mar 1994, Published online: 21 May 2012

Citations (15)

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V.I. Danilov, A. Les & J.L. Alderfer. (2001) A Theoretical Study of the cis-syn Pyrimidine Dimers in the Gas Phase and Water Cluster and a Tautomer-Bypass Mechanism for the Origin of UV-induced Mutations. Journal of Biomolecular Structure and Dynamics 19:1, pages 179-191.
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Jiří Šponer, Jerzy Leszczynski & Pavel Hobza. (1996) Hydrogen Bonding and Stacking of DNA Bases: A Review of Quantum-chemical ab initio Studies. Journal of Biomolecular Structure and Dynamics 14:1, pages 117-135.
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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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Articles from other publishers (12)

Michiko Kimoto, Hui Pen Tan, Ken-ichiro Matsunaga, Nur Afiqah Binte Mohd Mislan, Gota Kawai & Ichiro Hirao. (2023) Strict Interactions of Fifth Letters, Hydrophobic Unnatural Bases, in XenoAptamers with Target Proteins. Journal of the American Chemical Society 145:37, pages 20432-20441.
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Goutam Mukherjee, Niladri Patra, Poranjyoti Barua & B. Jayaram. (2010) A fast empirical GAFF compatible partial atomic charge assignment scheme for modeling interactions of small molecules with biomolecular targets. Journal of Computational Chemistry 32:5, pages 893-907.
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G. N. Ten, V. V. Nechaev, A. N. Pankratov & V. I. Baranov. (2010) Hydrogen bonding effect on the structure and vibrational spectra of complementary pairs of nucleic acid bases. I. Adenine-uracil. Journal of Structural Chemistry 51:3, pages 453-462.
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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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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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Frank Seela, Harald Debelak, Lori Andrews & Leonid Beigelman. (2003) Synthesis and Enzymic Hydrolysis of Oligoribonucleotides Incorporating 3‐Deazaguanosine: The Importance of the Nitrogen‐3 Atom of Single Conserved Guanosine Residues on the Catalytic Activity of the Hammerhead Ribozyme. Helvetica Chimica Acta 86:8, pages 2726-2740.
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Frank Seela & Helmut Rosemeyer. 2002. Recent Advances in Nucleosides: Chemistry and Chemotherapy. Recent Advances in Nucleosides: Chemistry and Chemotherapy 505 533 .
Bo Durbeej & Leif A. Eriksson. (2000) Thermodynamics of the Photoenzymic Repair Mechanism Studied by Density Functional Theory. Journal of the American Chemical Society 122:41, pages 10126-10132.
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J. Schiedt, R. Weinkauf, D.M. Neumark & E.W. Schlag. (1998) Anion spectroscopy of uracil, thymine and the amino-oxo and amino-hydroxy tautomers of cytosine and their water clusters. Chemical Physics 239:1-3, pages 511-524.
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Douglas H Turner. (1996) Thermodynamics of base pairing. Current Opinion in Structural Biology 6:3, pages 299-304.
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Shirley Louise-May, Pascal Auffinger & Eric Westhof. (1996) Calculations of nucleic acid conformations. Current Opinion in Structural Biology 6:3, pages 289-298.
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Jiří Šponer, Jerzy Leszczynski & Pavel Hobza. (1996) Structures and Energies of Hydrogen-Bonded DNA Base Pairs. A Nonempirical Study with Inclusion of Electron Correlation. The Journal of Physical Chemistry 100:5, pages 1965-1974.
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