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 *

320 related articles for article (PubMed ID: 20232969)

  • 1. Computer simulations of aqua metal ions for accurate reproduction of hydration free energies and structures.
    Li X; Tu Y; Tian H; Agren H
    J Chem Phys; 2010 Mar; 132(10):104505. PubMed ID: 20232969
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field.
    Lamoureux G; Roux B
    J Phys Chem B; 2006 Feb; 110(7):3308-22. PubMed ID: 16494345
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. 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]  

  • 5. Empirical force fields for biologically active divalent metal cations in water.
    Babu CS; Lim C
    J Phys Chem A; 2006 Jan; 110(2):691-9. PubMed ID: 16405342
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Crystal lattice properties fully determine short-range interaction parameters for alkali and halide ions.
    Mao AH; Pappu RV
    J Chem Phys; 2012 Aug; 137(6):064104. PubMed ID: 22897252
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Clusters of classical water models.
    Kiss PT; Baranyai A
    J Chem Phys; 2009 Nov; 131(20):204310. PubMed ID: 19947683
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Absolute hydration entropies of alkali metal ions from molecular dynamics simulations.
    Carlsson J; Aqvist J
    J Phys Chem B; 2009 Jul; 113(30):10255-60. PubMed ID: 19580304
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Development of new Cd2+ and Pb2+ Lennard-Jones parameters for liquid simulations.
    de Araujo AS; Sonoda MT; Piro OE; Castellano EE
    J Phys Chem B; 2007 Mar; 111(9):2219-24. PubMed ID: 17291025
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Systematic Parameterization of Monovalent Ions Employing the Nonbonded Model.
    Li P; Song LF; Merz KM
    J Chem Theory Comput; 2015 Apr; 11(4):1645-57. PubMed ID: 26574374
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations.
    Joung IS; Cheatham TE
    J Phys Chem B; 2008 Jul; 112(30):9020-41. PubMed ID: 18593145
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A modified TIP3P water potential for simulation with Ewald summation.
    Price DJ; Brooks CL
    J Chem Phys; 2004 Nov; 121(20):10096-103. PubMed ID: 15549884
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A Lennard-Jones plus Coulomb potential for Al3+ ions in aqueous solutions.
    Faro TM; Thim GP; Skaf MS
    J Chem Phys; 2010 Mar; 132(11):114509. PubMed ID: 20331307
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. 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]  

  • 18. Structure and dynamics of metal ions in solution: QM/MM molecular dynamics simulations of Mn(2+) and V(2+).
    Schwenk CF; Loeffler HH; Rode BM
    J Am Chem Soc; 2003 Feb; 125(6):1618-24. PubMed ID: 12568623
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Single ion hydration free energies: a consistent comparison between experiment and classical molecular simulation.
    Ashbaugh HS; Asthagiri D
    J Chem Phys; 2008 Nov; 129(20):204501. PubMed ID: 19045867
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Comment on "Ab initio molecular dynamics calculation of ion hydration free energies" [J. Chem. Phys. 130, 204507 (2009)].
    Chen ES; Chen EC
    J Chem Phys; 2010 Jul; 133(4):047103; author reply 047104. PubMed ID: 20687695
    [No Abstract]   [Full Text] [Related]  

    [Next]    [New Search]
    of 16.