BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

542 related articles for article (PubMed ID: 20095713)

  • 1. Ionic force field optimization based on single-ion and ion-pair solvation properties.
    Fyta M; Kalcher I; Dzubiella J; Vrbka L; Netz RR
    J Chem Phys; 2010 Jan; 132(2):024911. PubMed ID: 20095713
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Rational design of ion force fields based on thermodynamic solvation properties.
    Horinek D; Mamatkulov SI; Netz RR
    J Chem Phys; 2009 Mar; 130(12):124507. PubMed ID: 19334851
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ionic force field optimization based on single-ion and ion-pair solvation properties: going beyond standard mixing rules.
    Fyta M; Netz RR
    J Chem Phys; 2012 Mar; 136(12):124103. PubMed ID: 22462831
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Force fields for divalent cations based on single-ion and ion-pair properties.
    Mamatkulov S; Fyta M; Netz RR
    J Chem Phys; 2013 Jan; 138(2):024505. PubMed ID: 23320702
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Ion solvation thermodynamics from simulation with a polarizable force field.
    Grossfield A; Ren P; Ponder JW
    J Am Chem Soc; 2003 Dec; 125(50):15671-82. PubMed ID: 14664617
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Ion solvation in water from molecular dynamics simulation with the ABEEM/MM force field.
    Yang ZZ; Li X
    J Phys Chem A; 2005 Apr; 109(16):3517-20. PubMed ID: 16839014
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water.
    Reif MM; Hünenberger PH
    J Chem Phys; 2011 Apr; 134(14):144104. PubMed ID: 21495739
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Electrolytes in a nanometer slab-confinement: ion-specific structure and solvation forces.
    Kalcher I; Schulz JC; Dzubiella J
    J Chem Phys; 2010 Oct; 133(16):164511. PubMed ID: 21033809
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.
    Warren GL; Patel S
    J Chem Phys; 2007 Aug; 127(6):064509. PubMed ID: 17705614
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Properties of alkali-halide salt solutions about polarizable nanoparticle solutes for different ion models.
    Wynveen A; Bresme F
    J Chem Phys; 2010 Oct; 133(14):144706. PubMed ID: 20950029
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Kirkwood-Buff derived force field for alkali chlorides in simple point charge water.
    Klasczyk B; Knecht V
    J Chem Phys; 2010 Jan; 132(2):024109. PubMed ID: 20095665
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ion-specific thermodynamics of multicomponent electrolytes: a hybrid HNC/MD approach.
    Vrbka L; Lund M; Kalcher I; Dzubiella J; Netz RR; Kunz W
    J Chem Phys; 2009 Oct; 131(15):154109. PubMed ID: 20568849
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular dynamic simulations of ionic liquids: a reliable description of structure, thermodynamics and dynamics.
    Köddermann T; Paschek D; Ludwig R
    Chemphyschem; 2007 Dec; 8(17):2464-70. PubMed ID: 17943710
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Calculation of the free energy of polarization: quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters.
    Geerke DP; van Gunsteren WF
    J Phys Chem B; 2007 Jun; 111(23):6425-36. PubMed ID: 17508737
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Investigation of the salting out of methane from aqueous electrolyte solutions using computer simulations.
    Docherty H; Galindo A; Sanz E; Vega C
    J Phys Chem B; 2007 Aug; 111(30):8993-9000. PubMed ID: 17595128
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvated ions.
    Reif MM; Hünenberger PH
    J Chem Phys; 2011 Apr; 134(14):144103. PubMed ID: 21495738
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Monte Carlo simulations of salt solutions: exploring the validity of primitive models.
    Abbas Z; Ahlberg E; Nordholm S
    J Phys Chem B; 2009 Apr; 113(17):5905-16. PubMed ID: 19341250
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations.
    Zhong Y; Patel S
    J Phys Chem B; 2009 Jan; 113(3):767-78. PubMed ID: 19115819
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Coarse-grained ions without charges: reproducing the solvation structure of NaCl in water using short-ranged potentials.
    DeMille RC; Molinero V
    J Chem Phys; 2009 Jul; 131(3):034107. PubMed ID: 19624181
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Effects of ion solvation on phase equilibrium and interfacial tension of liquid mixtures.
    Wang R; Wang ZG
    J Chem Phys; 2011 Jul; 135(1):014707. PubMed ID: 21744914
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 28.