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

202 related items for PubMed ID: 25481943

  • 1. [Interactions of DNA bases with individual water molecules. Molecular mechanics and quantum mechanics computation results vs. experimental data].
    Gonzalez E, Lino J, Deriabina A, Herrera JN, Poltev VI.
    Biofizika; 2013; 58(5):748-57. PubMed ID: 25481943
    [Abstract] [Full Text] [Related]

  • 2. [Analysis of Conformational Features of Watson-Crick Duplex Fragments by Molecular Mechanics and Quantum Mechanics Methods].
    Poltev VI, Anisimov VM, Sanchez C, Deriabina A, Gonzalez E, Garcia D, Rivas F, Polteva NA.
    Biofizika; 2016; 61(2):259-69. PubMed ID: 27192827
    [Abstract] [Full Text] [Related]

  • 3. Treatment of dilute clusters of methanol and water by ab initio quantum mechanical calculations.
    Ruckenstein E, Shulgin IL, Tilson JL.
    J Phys Chem A; 2005 Feb 10; 109(5):807-15. PubMed ID: 16838951
    [Abstract] [Full Text] [Related]

  • 4. Ab initio QM/MM dynamics of H3O+ in water.
    Intharathep P, Tongraar A, Sagarik K.
    J Comput Chem; 2006 Nov 15; 27(14):1723-32. PubMed ID: 16903001
    [Abstract] [Full Text] [Related]

  • 5.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 6.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 7. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
    Cauët E, Bogatko S, Weare JH, Fulton JL, Schenter GK, Bylaska EJ.
    J Chem Phys; 2010 May 21; 132(19):194502. PubMed ID: 20499974
    [Abstract] [Full Text] [Related]

  • 8. Modeling DNA hydration: comparison of calculated and experimental hydration properties of nuclic acid bases.
    Poltev VI, Malenkov GG, Gonzalez EJ, Teplukhin AV, Rein R, Shibata M, Miller JH.
    J Biomol Struct Dyn; 1996 Feb 21; 13(4):717-26. PubMed ID: 8906892
    [Abstract] [Full Text] [Related]

  • 9. Reaction path potential for complex systems derived from combined ab initio quantum mechanical and molecular mechanical calculations.
    Lu Z, Yang W.
    J Chem Phys; 2004 Jul 01; 121(1):89-100. PubMed ID: 15260525
    [Abstract] [Full Text] [Related]

  • 10. Hybrid density functional-molecular mechanics calculations for core-electron binding energies of glycine in water solution.
    Niskanen J, Arul Murugan N, Rinkevicius Z, Vahtras O, Li C, Monti S, Carravetta V, Agren H.
    Phys Chem Chem Phys; 2013 Jan 07; 15(1):244-54. PubMed ID: 23160171
    [Abstract] [Full Text] [Related]

  • 11. [Interactions between nucleic acid bases. New parameters of potential functions and energy minima].
    Poltev VI, Deriabina AS, Gonzalez E, Grokhlina TI.
    Biofizika; 2002 Jan 07; 47(6):996-1004. PubMed ID: 12500562
    [Abstract] [Full Text] [Related]

  • 12. [Interaction of nucleic acid bases with water molecules and formation of mismatched nucleotide pairs].
    Poltev VI, Shteĭnberg SV.
    Mol Biol (Mosk); 1987 Jan 07; 21(3):704-13. PubMed ID: 3657771
    [Abstract] [Full Text] [Related]

  • 13. Ab initio quantum mechanics analysis of imidazole C-H...O water hydrogen bonding and a molecular mechanics forcefield correction.
    Ornstein RL, Zheng YJ.
    J Biomol Struct Dyn; 1997 Jun 07; 14(6):657-65. PubMed ID: 9195335
    [Abstract] [Full Text] [Related]

  • 14. [Possible configuration of dimers of Gua-Cyt bases. Computation by molecular mechanic models and density functional theory].
    Poltev VI, Danilov VI, Lesh A, Iurkevich AIu, Deriabina AS, Gonzalez E.
    Biofizika; 2003 Jun 07; 48(5):821-9. PubMed ID: 14582406
    [Abstract] [Full Text] [Related]

  • 15.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 16.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 17.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 18.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 19.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 20. Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization: study of the optical and magnetic properties of diazines in water.
    Manzoni V, Lyra ML, Coutinho K, Canuto S.
    J Chem Phys; 2011 Oct 14; 135(14):144103. PubMed ID: 22010694
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 11.