These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

774 related items for PubMed ID: 16953592

  • 1. Interaction energy contributions of H-bonded and stacked structures of the AT and GC DNA base pairs from the combined density functional theory and intermolecular perturbation theory approach.
    Hesselmann A, Jansen G, Schütz M.
    J Am Chem Soc; 2006 Sep 13; 128(36):11730-1. PubMed ID: 16953592
    [Abstract] [Full Text] [Related]

  • 2. True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experiment.
    Jurecka P, Hobza P.
    J Am Chem Soc; 2003 Dec 17; 125(50):15608-13. PubMed ID: 14664608
    [Abstract] [Full Text] [Related]

  • 3. Structural variability and the nature of intermolecular interactions in Watson-Crick B-DNA base pairs.
    Czyznikowska Z, Góra RW, Zaleśny R, Lipkowski P, Jarzembska KN, Dominiak PM, Leszczynski J.
    J Phys Chem B; 2010 Jul 29; 114(29):9629-44. PubMed ID: 20604521
    [Abstract] [Full Text] [Related]

  • 4. Stabilization energies of the hydrogen-bonded and stacked structures of nucleic acid base pairs in the crystal geometries of CG, AT, and AC DNA steps and in the NMR geometry of the 5'-d(GCGAAGC)-3' hairpin: Complete basis set calculations at the MP2 and CCSD(T) levels.
    Dabkowska I, Gonzalez HV, Jurecka P, Hobza P.
    J Phys Chem A; 2005 Feb 17; 109(6):1131-6. PubMed ID: 16833422
    [Abstract] [Full Text] [Related]

  • 5. 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. PubMed ID: 19421545
    [Abstract] [Full Text] [Related]

  • 6. Density functional theory-symmetry adapted perturbation treatment energy decomposition of nucleic acid base pairs taken from DNA crystal geometry.
    Sedlák R, Jurecka P, Hobza P.
    J Chem Phys; 2007 Aug 21; 127(7):075104. PubMed ID: 17718635
    [No Abstract] [Full Text] [Related]

  • 7. On geometries of stacked and H-bonded nucleic acid base pairs determined at various DFT, MP2, and CCSD(T) levels up to the CCSD(T)/complete basis set limit level.
    Dabkowska I, Jurecka P, Hobza P.
    J Chem Phys; 2005 May 22; 122(20):204322. PubMed ID: 15945739
    [Abstract] [Full Text] [Related]

  • 8. Nanoswitches based on DNA base pairs: why adenine-thymine is less suitable than guanine-cytosine.
    Fonseca Guerra C, van der Wijst T, Bickelhaupt FM.
    Chemphyschem; 2006 Sep 11; 7(9):1971-9. PubMed ID: 16888742
    [Abstract] [Full Text] [Related]

  • 9. Metahybrid density functional theory and correlated ab initio studies on microhydrated adenine-thymine base pairs.
    Dkhissi A, Blossey R.
    J Phys Chem B; 2008 Jul 31; 112(30):9182-6. PubMed ID: 18597520
    [Abstract] [Full Text] [Related]

  • 10. 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. PubMed ID: 17571183
    [Abstract] [Full Text] [Related]

  • 11. Direct assessment of interresidue forces in Watson-Crick base pairs using theoretical compliance constants.
    Grunenberg J.
    J Am Chem Soc; 2004 Dec 22; 126(50):16310-1. PubMed ID: 15600318
    [Abstract] [Full Text] [Related]

  • 12. Double-proton transfer in adenine-thymine and guanine-cytosine base pairs. A post-Hartree-Fock ab initio study.
    Gorb L, Podolyan Y, Dziekonski P, Sokalski WA, Leszczynski J.
    J Am Chem Soc; 2004 Aug 18; 126(32):10119-29. PubMed ID: 15303888
    [Abstract] [Full Text] [Related]

  • 13. Toward the exact solution of the electronic Schrödinger equation for noncovalent molecular interactions: worldwide distributed quantum monte carlo calculations.
    Korth M, Lüchow A, Grimme S.
    J Phys Chem A; 2008 Mar 13; 112(10):2104-9. PubMed ID: 18201073
    [Abstract] [Full Text] [Related]

  • 14. Energy barriers between H-bonded and stacked structures of 9-methyladenine...1-methylthymine and 9-methylguanine...1-methylcytosine complexes.
    Cerný J, Hobza P.
    Chem Commun (Camb); 2010 Jan 21; 46(3):383-5. PubMed ID: 20066299
    [Abstract] [Full Text] [Related]

  • 15. Hydrogen-bonding-induced shifts of the excitation energies in nucleic acid bases: an interplay between electrostatic and electron density overlap effects.
    Wesolowski TA.
    J Am Chem Soc; 2004 Sep 22; 126(37):11444-5. PubMed ID: 15366883
    [Abstract] [Full Text] [Related]

  • 16. Nature of bonding in nine planar hydrogen-bonded adenine...thymine base pairs.
    Ran J, Hobza P.
    J Phys Chem B; 2009 Mar 05; 113(9):2933-6. PubMed ID: 19708119
    [Abstract] [Full Text] [Related]

  • 17. Binding of gold clusters with DNA base pairs: a density functional study of neutral and anionic GC-Aun and AT-Aun (n = 4, 8) complexes.
    Kumar A, Mishra PC, Suhai S.
    J Phys Chem A; 2006 Jun 22; 110(24):7719-27. PubMed ID: 16774220
    [Abstract] [Full Text] [Related]

  • 18. A theoretical study of structures and electron affinities of radical anions of guanine-cytosine, adenine-thymine, and hypoxanthine-cytosine base pairs.
    Kumar A, Knapp-Mohammady M, Mishra PC, Suhai S.
    J Comput Chem; 2004 Jun 22; 25(8):1047-59. PubMed ID: 15067680
    [Abstract] [Full Text] [Related]

  • 19. On the aromatic character of the heterocyclic bases of DNA and RNA.
    Cyrański MK, Gilski M, Jaskólski M, Krygowski TM.
    J Org Chem; 2003 Oct 31; 68(22):8607-13. PubMed ID: 14575493
    [Abstract] [Full Text] [Related]

  • 20. Benchmark studies on the building blocks of DNA. 3. Watson-Crick and stacked base pairs.
    Szalay PG, Watson T, Perera A, Lotrich V, Bartlett RJ.
    J Phys Chem A; 2013 Apr 18; 117(15):3149-57. PubMed ID: 23473108
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 39.