BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

1119 related articles for article (PubMed ID: 19402691)

  • 21. 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]  

  • 22. Hydration shell exchange dynamics during ion transfer across the liquid/liquid interface.
    Chorny I; Benjamin I
    J Phys Chem B; 2005 Sep; 109(34):16455-62. PubMed ID: 16853092
    [TBL] [Abstract][Full Text] [Related]  

  • 23. 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]  

  • 24. 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]  

  • 25. 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]  

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

  • 27. Structural and dynamical properties of the V(3+) ion in dilute aqueous solution: An ab initio QM/MM molecular dynamics simulation.
    Kritayakornupong C
    J Comput Chem; 2009 Dec; 30(16):2777-83. PubMed ID: 19408283
    [TBL] [Abstract][Full Text] [Related]  

  • 28. 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]  

  • 29. 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]  

  • 30. 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]  

  • 31. 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]  

  • 32. Structural and dynamical properties of the Hg2+ aqua ion: a molecular dynamics study.
    Mancini G; Sanna N; Barone V; Migliorati V; D'Angelo P; Chillemi G
    J Phys Chem B; 2008 Apr; 112(15):4694-702. PubMed ID: 18366205
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Polarization and charge transfer in the hydration of chloride ions.
    Zhao Z; Rogers DM; Beck TL
    J Chem Phys; 2010 Jan; 132(1):014502. PubMed ID: 20078167
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Coordination number of zinc ions in the phosphotriesterase active site by molecular dynamics and quantum mechanics.
    Koca J; Zhan CG; Rittenhouse RC; Ornstein RL
    J Comput Chem; 2003 Feb; 24(3):368-78. PubMed ID: 12548728
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Molecular dynamics study of the coordination sphere of trivalent lanthanum in a highly concentrated LiCl aqueous solution: a combined classical and ab initio approach.
    Petit L; Vuilleumier R; Maldivi P; Adamo C
    J Phys Chem B; 2008 Aug; 112(34):10603-7. PubMed ID: 18671425
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Trends in aqueous hydration across the 4f period assessed by reliable computational methods.
    Kuta J; Clark AE
    Inorg Chem; 2010 Sep; 49(17):7808-17. PubMed ID: 20677816
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Ultrafast dynamics of hydrogen bond exchange in aqueous ionic solutions.
    Park S; Odelius M; Gaffney KJ
    J Phys Chem B; 2009 Jun; 113(22):7825-35. PubMed ID: 19435307
    [TBL] [Abstract][Full Text] [Related]  

  • 38. 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]  

  • 39. 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]  

  • 40. Structure of an accurate ab initio model of the aqueous Cl- ion at high temperatures.
    Dong H; Liu W; Doren D; Wood R
    J Phys Chem B; 2006 Sep; 110(37):18504-14. PubMed ID: 16970478
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 56.