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Results: 1 to 20 of 258

1.

Comprehensive study of the effects of methylation on tautomeric equilibria of nucleic acid bases.

Forde GK, Forde AE, Hill G, Ford A, Nazario A, Leszczynski J.

J Phys Chem B. 2006 Aug 10;110(31):15564-71.

PMID:
16884280
[PubMed - indexed for MEDLINE]
2.

Hydrogen-bonded nucleic acid base pairs containing unusual base tautomers: complete basis set calculations at the MP2 and CCSD(T) levels.

Rejnek J, Hobza P.

J Phys Chem B. 2007 Jan 25;111(3):641-5.

PMID:
17228922
[PubMed - indexed for MEDLINE]
3.

Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Part 4. Uracil and thymine.

Rejnek J, Hanus M, Kabelác M, Ryjácek F, Hobza P.

Phys Chem Chem Phys. 2005 May 7;7(9):2006-17.

PMID:
19787906
[PubMed - indexed for MEDLINE]
6.

TDDFT investigation on nucleic acid bases: comparison with experiments and standard approach.

Shukla MK, Leszczynski J.

J Comput Chem. 2004 Apr 15;25(5):768-78.

PMID:
14978720
[PubMed - indexed for MEDLINE]
7.

Tautomeric equilibrium of uracil and thymine in model protein-nucleic acid contacts. Spectroscopic and quantum chemical approach.

Samijlenko SP, Yurenko YP, Stepanyugin AV, Hovorun DM.

J Phys Chem B. 2010 Jan 28;114(3):1454-61. doi: 10.1021/jp909099a.

PMID:
20047292
[PubMed - indexed for MEDLINE]
8.

Photoelectron spectroscopy of adiabatically bound valence anions of rare tautomers of the nucleic acid bases.

Li X, Bowen KH, Haranczyk M, Bachorz RA, Mazurkiewicz K, Rak J, Gutowski M.

J Chem Phys. 2007 Nov 7;127(17):174309.

PMID:
17994820
[PubMed - indexed for MEDLINE]
9.

Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. guanine: surprising stabilization of rare tautomers in aqueous solution.

Hanus M, Ryjácek F, Kabelác M, Kubar T, Bogdan TV, Trygubenko SA, Hobza P.

J Am Chem Soc. 2003 Jun 25;125(25):7678-88.

PMID:
12812509
[PubMed - indexed for MEDLINE]
10.

Microhydration of guanine...cytosine base pairs, a theoretical Study on the role of water in stability, structure and tautomeric equilibrium.

Zelený T, Hobza P, Kabelác M.

Phys Chem Chem Phys. 2009 May 14;11(18):3430-5. doi: 10.1039/b819350a. Epub 2009 Mar 5.

PMID:
19421545
[PubMed - indexed for MEDLINE]
11.

Theoretical study on the alkylation and protonation of the nucleic acid bases.

Miertus S, Trebatická M.

J Theor Biol. 1984 Jun 21;108(4):509-17.

PMID:
6087033
[PubMed - indexed for MEDLINE]
12.

Hydration and stability of nucleic acid bases and base pairs.

Kabelác M, Hobza P.

Phys Chem Chem Phys. 2007 Feb 28;9(8):903-17. Epub 2006 Dec 8.

PMID:
17301881
[PubMed - indexed for MEDLINE]
13.

The small planarization barriers for the amino group in the nucleic acid bases.

Wang S, Schaefer HF 3rd.

J Chem Phys. 2006 Jan 28;124(4):044303.

PMID:
16460158
[PubMed - indexed for MEDLINE]
14.

Ab initio base-pairing energies of an oxidized thymine product, 5-formyluracil, with standard DNA bases at the BSSE-free DFT and MP2 theory levels.

Volk DE, Thiviyanathan V, Somasunderam A, Gorenstein DG.

Org Biomol Chem. 2007 May 21;5(10):1554-8. Epub 2007 Apr 17.

PMID:
17571183
[PubMed - indexed for MEDLINE]
15.

Theoretical ab initio study of the effects of methylation on structure and stability of G:C Watson-Crick base pair.

Forde G, Flood A, Salter L, Hill G, Gorb L, Leszczynski J.

J Biomol Struct Dyn. 2003 Jun;20(6):811-7.

PMID:
12744710
[PubMed - indexed for MEDLINE]
16.

DNA-conducting polymer complexes: a computational study of the hydrogen bond between building blocks.

Zanuy D, Aleman C.

J Phys Chem B. 2008 Mar 13;112(10):3222-30. doi: 10.1021/jp711010t. Epub 2008 Feb 16.

PMID:
18278905
[PubMed - indexed for MEDLINE]
17.

Benzoderivatives of nucleic acid bases as modified DNA building blocks.

Huertas O, Blas JR, Soteras I, Orozco M, Luque FJ.

J Phys Chem A. 2006 Jan 19;110(2):510-8.

PMID:
16405323
[PubMed - indexed for MEDLINE]
18.

Ab initio study of naphtho-homologated DNA bases.

Vazquez-Mayagoita A, Huertas O, Fuentes-Cabrera M, Sumpter BG, Orozco M, Luque FJ.

J Phys Chem B. 2008 Feb 21;112(7):2179-86. doi: 10.1021/jp7095746. Epub 2008 Jan 29.

PMID:
18225888
[PubMed - indexed for MEDLINE]
19.

[Effect of protonation of nucleic acid bases on the energy of formation of the Watson-Crick pairs].

Voĭtiuk AA, Blizniuk AA.

Mol Biol (Mosk). 1988 Jul-Aug;22(4):1080-6. Russian.

PMID:
2847023
[PubMed - indexed for MEDLINE]
20.

Structure and the energy of base pairing in non-natural bases of nucleic acids: the azaguanine-cytosine and azaadenine-thymine base pairs.

Contreras JG, Madariaga ST.

Bioorg Chem. 2003 Oct;31(5):367-77.

PMID:
12941289
[PubMed - indexed for MEDLINE]

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