BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

91 related articles for article (PubMed ID: 11054657)

  • 1. New nonbonded interactions calculation strategy for rectangular systems. I. Preliminary molecular dynamics study of solvated Na(+) ion.
    Ledauphin V; Vergoten G
    Biopolymers; 2000; 57(6):373-82. PubMed ID: 11054657
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Elastic bag model for molecular dynamics simulations of solvated systems: application to liquid water and solvated peptides.
    Li Y; Krilov G; Berne BJ
    J Phys Chem B; 2006 Jul; 110(26):13256-63. PubMed ID: 16805640
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Application of MDGRAPE-3, a special purpose board for molecular dynamics simulations, to periodic biomolecular systems.
    Kikugawa G; Apostolov R; Kamiya N; Taiji M; Himeno R; Nakamura H; Yonezawa Y
    J Comput Chem; 2009 Jan; 30(1):110-8. PubMed ID: 18524021
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Dependence of ion hydration on the sign of the ion's charge.
    Grossfield A
    J Chem Phys; 2005 Jan; 122(2):024506. PubMed ID: 15638597
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Role of lipid charge in organization of water/lipid bilayer interface: insights via computer simulations.
    Polyansky AA; Volynsky PE; Nolde DE; Arseniev AS; Efremov RG
    J Phys Chem B; 2005 Aug; 109(31):15052-9. PubMed ID: 16852905
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Molecular simulation study of temperature effect on ionic hydration in carbon nanotubes.
    Shao Q; Huang L; Zhou J; Lu L; Zhang L; Lu X; Jiang S; Gubbins KE; Shen W
    Phys Chem Chem Phys; 2008 Apr; 10(14):1896-906. PubMed ID: 18368182
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Cutoff size need not strongly influence molecular dynamics results for solvated polypeptides.
    Beck DA; Armen RS; Daggett V
    Biochemistry; 2005 Jan; 44(2):609-16. PubMed ID: 15641786
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Perturbation of local solvent structure by a small dication: a theoretical study on structural, vibrational, and reactive properties of beryllium ion in water.
    Gnanakaran S; Scott B; McCleskey TM; Garcia AE
    J Phys Chem B; 2008 Mar; 112(10):2958-63. PubMed ID: 18281967
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Microscopic hydration of the sodium chloride ion pair.
    Mizoguchi A; Ohshima Y; Endo Y
    J Am Chem Soc; 2003 Feb; 125(7):1716-7. PubMed ID: 12580594
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Effect of NaCl and KCl on phosphatidylcholine and phosphatidylethanolamine lipid membranes: insight from atomic-scale simulations for understanding salt-induced effects in the plasma membrane.
    Gurtovenko AA; Vattulainen I
    J Phys Chem B; 2008 Feb; 112(7):1953-62. PubMed ID: 18225878
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular dynamics simulation of glycine zwitterion in aqueous solution.
    Campo MG
    J Chem Phys; 2006 Sep; 125(11):114511. PubMed ID: 16999494
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Study of the effect of Na+ and Ca2+ ion concentration on the structure of an asymmetric DPPC/DPPC + DPPS lipid bilayer by molecular dynamics simulation.
    Porasso RD; López Cascales JJ
    Colloids Surf B Biointerfaces; 2009 Oct; 73(1):42-50. PubMed ID: 19487110
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Effects of cations on the hydrogen bond network of liquid water: new results from X-ray absorption spectroscopy of liquid microjets.
    Cappa CD; Smith JD; Messer BM; Cohen RC; Saykally RJ
    J Phys Chem B; 2006 Mar; 110(11):5301-9. PubMed ID: 16539461
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Density functional study of ion hydration for the alkali metal ions (Li+, Na+, K+) and the halide ions (F-, Br-, Cl-).
    Krekeler C; Hess B; Delle Site L
    J Chem Phys; 2006 Aug; 125(5):054305. PubMed ID: 16942211
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A coupled Car-Parrinello molecular dynamics and EXAFS data analysis investigation of aqueous Co(2+).
    Spezia R; Duvail M; Vitorge P; Cartailler T; Tortajada J; Chillemi G; D'Angelo P; Gaigeot MP
    J Phys Chem A; 2006 Dec; 110(48):13081-8. PubMed ID: 17134169
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Development of a lattice-sum method emulating nonperiodic boundary conditions for the treatment of electrostatic interactions in molecular simulations: a continuum-electrostatics study.
    Kastenholz MA; Hünenberger PH
    J Chem Phys; 2006 Mar; 124(12):124108. PubMed ID: 16599663
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Exploring the origin of the ion selectivity of the KcsA potassium channel.
    Burykin A; Kato M; Warshel A
    Proteins; 2003 Aug; 52(3):412-26. PubMed ID: 12866052
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ion permeation dynamics in carbon nanotubes.
    Liu H; Murad S; Jameson CJ
    J Chem Phys; 2006 Aug; 125(8):084713. PubMed ID: 16965045
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 5.