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 *

271 related articles for article (PubMed ID: 18671425)

  • 1. 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]  

  • 2. 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]  

  • 3. Dynamics and structure of Ln(III)-aqua ions: a comparative molecular dynamics study using ab initio based flexible and polarizable model potentials.
    Villa A; Hess B; Saint-Martin H
    J Phys Chem B; 2009 May; 113(20):7270-81. PubMed ID: 19402691
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Ab Initio Molecular Dynamics Study of a Highly Concentrated LiCl Aqueous Solution.
    Petit L; Vuilleumier R; Maldivi P; Adamo C
    J Chem Theory Comput; 2008 Jul; 4(7):1040-8. PubMed ID: 26636357
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Structure and dynamics of the [Zn(NH3)(H2O)5]2+ complex in aqueous solution obtained by an ab initio QM/MM molecular dynamics study.
    Qaiser Fatmi M; Hofer TS; Randolf BR; Rode BM
    Phys Chem Chem Phys; 2006 Apr; 8(14):1675-81. PubMed ID: 16633651
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Ligand exchange dynamics in aqueous solution studied with 2DIR spectroscopy.
    Park S; Ji M; Gaffney KJ
    J Phys Chem B; 2010 May; 114(19):6693-702. PubMed ID: 20426448
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Structure and dynamics of hydrated NH(4) (+): an ab initio QM/MM molecular dynamics simulation.
    Intharathep P; Tongraar A; Sagarik K
    J Comput Chem; 2005 Oct; 26(13):1329-38. PubMed ID: 16021596
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio QM/MM simulation of Ag+ in 18.6% aqueous ammonia solution: structure and dynamics investigations.
    Armunanto R; Schwenk CF; Rode BM
    J Phys Chem A; 2005 May; 109(20):4437-41. PubMed ID: 16833778
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Glycine in aqueous solution: solvation shells, interfacial water, and vibrational spectroscopy from ab initio molecular dynamics.
    Sun J; Bousquet D; Forbert H; Marx D
    J Chem Phys; 2010 Sep; 133(11):114508. PubMed ID: 20866146
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Gadolinium (III) ion in liquid water: structure, dynamics, and magnetic interactions from first principles.
    Yazyev OV; Helm L
    J Chem Phys; 2007 Aug; 127(8):084506. PubMed ID: 17764268
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Why are ionic liquid ions mainly associated in water? A Car-Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture.
    Spickermann C; Thar J; Lehmann SB; Zahn S; Hunger J; Buchner R; Hunt PA; Welton T; Kirchner B
    J Chem Phys; 2008 Sep; 129(10):104505. PubMed ID: 19044922
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Hydration of lanthanide chloride salts: a quantum chemical and classical molecular dynamics simulation study.
    Beuchat C; Hagberg D; Spezia R; Gagliardi L
    J Phys Chem B; 2010 Dec; 114(47):15590-7. PubMed ID: 21053931
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Density functional theory based molecular dynamics study of hydration and electronic properties of aqueous La(3+).
    Terrier C; Vitorge P; Gaigeot MP; Spezia R; Vuilleumier R
    J Chem Phys; 2010 Jul; 133(4):044509. PubMed ID: 20687665
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. 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]  

  • 20. Combined QM/MM and classical molecular dynamics study of [Ru(bpy)3]2+ in water.
    Moret ME; Tavernelli I; Rothlisberger U
    J Phys Chem B; 2009 Jun; 113(22):7737-44. PubMed ID: 19435301
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.