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 *

198 related articles for article (PubMed ID: 16852094)

  • 1. Computational evidence for a variable first shell coordination of the cadmium(II) ion in aqueous solution.
    Chillemi G; Barone V; D'Angelo P; Mancini G; Persson I; Sanna N
    J Phys Chem B; 2005 May; 109(18):9186-93. PubMed ID: 16852094
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Experimental evidence for a variable first coordination shell of the cadmium(II) ion in aqueous, dimethyl sulfoxide, and N,N'-dimethylpropyleneurea solution.
    D'Angelo P; Chillemi G; Barone V; Mancini G; Sanna N; Persson I
    J Phys Chem B; 2005 May; 109(18):9178-85. PubMed ID: 16852093
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A coupled molecular dynamics and XANES data analysis investigation of aqueous cadmium(II).
    D'Angelo P; Migliorati V; Mancini G; Chillemi G
    J Phys Chem A; 2008 Nov; 112(46):11833-41. PubMed ID: 18947218
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Structure and dynamics of Au+ ion in aqueous solution: ab initio QM/MM MD simulations.
    Armunanto R; Schwenk CF; Tran HT; Rode BM
    J Am Chem Soc; 2004 Mar; 126(8):2582-7. PubMed ID: 14982468
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Speciation of the curium(III) ion in aqueous solution: a combined study by quantum chemistry and molecular dynamics simulation.
    Yang T; Bursten BE
    Inorg Chem; 2006 Jul; 45(14):5291-301. PubMed ID: 16813391
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Structure and dynamics of the CrIII ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation.
    Kritayakornupong C; Plankensteiner K; Rode BM
    J Comput Chem; 2004 Oct; 25(13):1576-83. PubMed ID: 15264252
    [TBL] [Abstract][Full Text] [Related]  

  • 8. An extended ab initio QM/MM MD approach to structure and dynamics of Zn(II) in aqueous solution.
    Fatmi MQ; Hofer TS; Randolf BR; Rode BM
    J Chem Phys; 2005 Aug; 123(5):054514. PubMed ID: 16108676
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. 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]  

  • 11. The Jahn-Teller effect of the Cr(2+) ion in aqueous solution: Ab initio QM/MM molecular dynamics simulations.
    Kritayakornupong C
    J Comput Chem; 2008 Jan; 29(1):115-21. PubMed ID: 17551971
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Tl(I)-the strongest structure-breaking metal ion in water? A quantum mechanical/molecular mechanical simulation study.
    Vchirawongkwin V; Hofer TS; Randolf BR; Rode BM
    J Comput Chem; 2007 Apr; 28(6):1006-16. PubMed ID: 17269122
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Structure, dynamics, and reactivity of hydrated electrons by ab initio molecular dynamics.
    Marsalek O; Uhlig F; VandeVondele J; Jungwirth P
    Acc Chem Res; 2012 Jan; 45(1):23-32. PubMed ID: 21899274
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. 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]  

  • 16. Evidence for sevenfold coordination in the first solvation shell of Hg(II) aqua ion.
    Chillemi G; Mancini G; Sanna N; Barone V; Della Longa S; Benfatto M; Pavel NV; D'Angelo P
    J Am Chem Soc; 2007 May; 129(17):5430-6. PubMed ID: 17411035
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Calculating geochemical reaction pathways--exploration of the inner-sphere water exchange mechanism in Al(H2O)6(3+)(aq) + nH2O with ab Initio calculations and molecular dynamics.
    Evans RJ; Rustad JR; Casey WH
    J Phys Chem A; 2008 May; 112(17):4125-40. PubMed ID: 18366199
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. The coordination of uranyl in water: a combined quantum chemical and molecular simulation study.
    Hagberg D; Karlström G; Roos BO; Gagliardi L
    J Am Chem Soc; 2005 Oct; 127(41):14250-6. PubMed ID: 16218619
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A first principles theoretical study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous ionic solutions: D2O in hydration shells of Cl(-) ions.
    Mallik BS; Semparithi A; Chandra A
    J Chem Phys; 2008 Nov; 129(19):194512. PubMed ID: 19026071
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.