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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

274 related articles for article (PubMed ID: 19847782)

  • 1. Temperature dependence of structure and dynamics of the hydrated Ca2+ ion according to ab initio quantum mechanical charge field and classical molecular dynamics.
    Lim LH; Pribil AB; Ellmerer AE; Randolf BR; Rode BM
    J Comput Chem; 2010 Apr; 31(6):1195-200. PubMed ID: 19847782
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A quantum mechanical charge field molecular dynamics study of Fe(2+) and Fe(3+) ions in aqueous solutions.
    Moin ST; Hofer TS; Pribil AB; Randolf BR; Rode BM
    Inorg Chem; 2010 Jun; 49(11):5101-6. PubMed ID: 20441160
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Structure and dynamics of the U4+ ion in aqueous solution: an ab initio quantum mechanical charge field molecular dynamics study.
    Frick RJ; Pribil AB; Hofer TS; Randolf BR; Bhattacharjee A; Rode BM
    Inorg Chem; 2009 May; 48(9):3993-4002. PubMed ID: 19338289
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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; 132(19):194502. PubMed ID: 20499974
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Hydration of sodium(I) and potassium(I) revisited: a comparative QM/MM and QMCF MD simulation study of weakly hydrated ions.
    Azam SS; Hofer TS; Randolf BR; Rode BM
    J Phys Chem A; 2009 Mar; 113(9):1827-34. PubMed ID: 19203258
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Structural and dynamical properties of hydrogen fluoride in aqueous solution: an ab initio quantum mechanical charge field molecular dynamics simulation.
    Kritayakornupong C; Vchirawongkwin V; Hofer TS; Rode BM
    J Phys Chem B; 2008 Sep; 112(38):12032-7. PubMed ID: 18729507
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Structure and dynamics of the chromate ion in aqueous solution. An ab initio QMCF-MD simulation.
    Hinteregger E; Pribil AB; Hofer TS; Randolf BR; Weiss AK; Rode BM
    Inorg Chem; 2010 Sep; 49(17):7964-8. PubMed ID: 20704361
    [TBL] [Abstract][Full Text] [Related]  

  • 8. An ab initio quantum mechanical charge field molecular dynamics simulation of a dilute aqueous HCl solution.
    Kritayakornupong C; Vchirawongkwin V; Rode BM
    J Comput Chem; 2010 Jun; 31(8):1785-92. PubMed ID: 20020473
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Structural and dynamical aspects of the unsymmetric hydration of Sb(III): an ab initio quantum mechanical charge field molecular dynamics simulation.
    Lim LH; Bhattacharjee A; Asam SS; Hofer TS; Randolf BR; Rode BM
    Inorg Chem; 2010 Mar; 49(5):2132-40. PubMed ID: 20121188
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Beryllium(II): the strongest structure-forming ion in water? A QMCF MD simulation study.
    Azam SS; Hofer TS; Bhattacharjee A; Lim LH; Pribil AB; Randolf BR; Rode BM
    J Phys Chem B; 2009 Jul; 113(27):9289-95. PubMed ID: 19522491
    [TBL] [Abstract][Full Text] [Related]  

  • 11. The hydration structure of Sn(II): an ab initio quantum mechanical charge field molecular dynamics study.
    Lim LH; Hofer TS; Pribil AB; Rode BM
    J Phys Chem B; 2009 Apr; 113(13):4372-8. PubMed ID: 19253986
    [TBL] [Abstract][Full Text] [Related]  

  • 12. On the structure and dynamics of the hydrated sulfite ion in aqueous solution--an ab initio QMCF MD simulation and large angle X-ray scattering study.
    Eklund L; Hofer TS; Pribil AB; Rode BM; Persson I
    Dalton Trans; 2012 May; 41(17):5209-16. PubMed ID: 22415245
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Dissociation of NaCl in water from ab initio molecular dynamics simulations.
    Timko J; Bucher D; Kuyucak S
    J Chem Phys; 2010 Mar; 132(11):114510. PubMed ID: 20331308
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Temperature effects on the structural and dynamical properties of the Zn(II)-water complex in aqueous solution: a QM/MM molecular dynamics study.
    Fatmi MQ; Hofer TS; Randolf BR; Rode BM
    J Phys Chem B; 2006 Jan; 110(1):616-21. PubMed ID: 16471574
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Al(III) hydration revisited. An ab initio quantum mechanical charge field molecular dynamics study.
    Hofer TS; Randolf BR; Rode BM
    J Phys Chem B; 2008 Sep; 112(37):11726-33. PubMed ID: 18729393
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ab initio quantum mechanical charge field study of hydrated bicarbonate ion: structural and dynamical properties.
    Vchirawongkwin V; Pribil AB; Rode BM
    J Comput Chem; 2010 Jan; 31(2):249-57. PubMed ID: 19434738
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Structure and dynamics of solvated Sn(II) in aqueous solution: an ab initio QM/MM MD approach.
    Hofer TS; Pribil AB; Randolf BR; Rode BM
    J Am Chem Soc; 2005 Oct; 127(41):14231-8. PubMed ID: 16218617
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Hydrated germanium (II): irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study.
    Azam SS; Lim LH; Hofer TS; Randolf BR; Rode BM
    J Comput Chem; 2010 Jan; 31(2):278-85. PubMed ID: 19479764
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution.
    Fatmi MQ; Hofer TS; Randolf BR; Rode BM
    J Comput Chem; 2007 Jul; 28(10):1704-10. PubMed ID: 17342715
    [TBL] [Abstract][Full Text] [Related]  

  • 20. New insights into the Jahn-Teller effect through ab initio quantum-mechanical/molecular-mechanical molecular dynamics simulations of CuII in water.
    Schwenk CF; Rode BM
    Chemphyschem; 2003 Sep; 4(9):931-43. PubMed ID: 14562438
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.