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 *

166 related articles for article (PubMed ID: 24320367)

  • 1. Self-consistent continuum solvation (SCCS): the case of charged systems.
    Dupont C; Andreussi O; Marzari N
    J Chem Phys; 2013 Dec; 139(21):214110. PubMed ID: 24320367
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
    Marenich AV; Cramer CJ; Truhlar DG
    J Phys Chem B; 2009 May; 113(18):6378-96. PubMed ID: 19366259
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Aqueous solvation free energies of ions and ion-water clusters based on an accurate value for the absolute aqueous solvation free energy of the proton.
    Kelly CP; Cramer CJ; Truhlar DG
    J Phys Chem B; 2006 Aug; 110(32):16066-81. PubMed ID: 16898764
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Dynamical discrete/continuum linear response shells theory of solvation: convergence test for NH4+ and OH- ions in water solution using DFT and DFTB methods.
    de Lima GF; Duarte HA; Pliego JR
    J Phys Chem B; 2010 Dec; 114(48):15941-7. PubMed ID: 21077689
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.
    Sun H; Wen J; Zhao Y; Li B; McCammon JA
    J Chem Phys; 2015 Dec; 143(24):243110. PubMed ID: 26723595
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Revised self-consistent continuum solvation in electronic-structure calculations.
    Andreussi O; Dabo I; Marzari N
    J Chem Phys; 2012 Feb; 136(6):064102. PubMed ID: 22360164
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Quantum mechanical continuum solvation models for ionic liquids.
    Bernales VS; Marenich AV; Contreras R; Cramer CJ; Truhlar DG
    J Phys Chem B; 2012 Aug; 116(30):9122-9. PubMed ID: 22734466
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Performance of the IEF-MST solvation continuum model in a blind test prediction of hydration free energies.
    Soteras I; Forti F; Orozco M; Luque FJ
    J Phys Chem B; 2009 Jul; 113(27):9330-4. PubMed ID: 19534454
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Like-charge attraction of molecular cations in water: subtle balance between interionic interactions and ionic solvation effect.
    Inagaki T; Aono S; Nakano H; Yamamoto T
    J Phys Chem B; 2014 May; 118(20):5499-508. PubMed ID: 24787756
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Charge-dependent cavity radii for an accurate dielectric continuum model of solvation with emphasis on ions: aqueous solutes with oxo, hydroxo, amino, methyl, chloro, bromo, and fluoro functionalities.
    Ginovska B; Camaioni DM; Dupuis M; Schwerdtfeger CA; Gil Q
    J Phys Chem A; 2008 Oct; 112(42):10604-13. PubMed ID: 18816107
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions.
    Réal F; Trumm M; Schimmelpfennig B; Masella M; Vallet V
    J Comput Chem; 2013 Apr; 34(9):707-19. PubMed ID: 23233426
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Coordination state probabilities and the solvation free energy of Zn2+ in aqueous methanol solutions.
    Tam HH; Asthagiri D; Paulaitis ME
    J Chem Phys; 2012 Oct; 137(16):164504. PubMed ID: 23126727
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Accuracy of the microsolvation-continuum approach in computing the pK(a) and the free energies of formation of phosphate species in aqueous solution.
    Tang E; Di Tommaso D; de Leeuw NH
    Phys Chem Chem Phys; 2010 Nov; 12(41):13804-15. PubMed ID: 20862433
    [TBL] [Abstract][Full Text] [Related]  

  • 16. On the performance of continuum solvation methods. A comment on "Universal approaches to solvation modeling".
    Klamt A; Mennucci B; Tomasi J; Barone V; Curutchet C; Orozco M; Luque FJ
    Acc Chem Res; 2009 Apr; 42(4):489-92; discussion 493-7. PubMed ID: 19222200
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Vibrational spectroscopic determination of local solvent electric field, solute-solvent electrostatic interaction energy, and their fluctuation amplitudes.
    Lee H; Lee G; Jeon J; Cho M
    J Phys Chem A; 2012 Jan; 116(1):347-57. PubMed ID: 22087732
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Calculation of solvation free energies of charged solutes using mixed cluster/continuum models.
    Bryantsev VS; Diallo MS; Goddard WA
    J Phys Chem B; 2008 Aug; 112(32):9709-19. PubMed ID: 18646800
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Prediction of SAMPL-1 hydration free energies using a continuum electrostatics-dispersion model.
    Sulea T; Wanapun D; Dennis S; Purisima EO
    J Phys Chem B; 2009 Apr; 113(14):4511-20. PubMed ID: 19267492
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
    Nguyen MT; Matus MH; Jackson VE; Vu TN; Rustad JR; Dixon DA
    J Phys Chem A; 2008 Oct; 112(41):10386-98. PubMed ID: 18816037
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.