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 *

120 related articles for article (PubMed ID: 33616583)

  • 1. Convergence behaviour of solvation shells in simulated liquids.
    Kalayan J; Henchman RH
    Phys Chem Chem Phys; 2021 Mar; 23(8):4892-4900. PubMed ID: 33616583
    [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. Solvation properties of protic ionic liquid-molecular solvent mixtures.
    Yalcin D; Christofferson AJ; Drummond CJ; Greaves TL
    Phys Chem Chem Phys; 2020 May; 22(19):10995-11011. PubMed ID: 32367092
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Water coordination structures and the excess free energy of the liquid.
    Merchant S; Shah JK; Asthagiri D
    J Chem Phys; 2011 Mar; 134(12):124514. PubMed ID: 21456683
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Free energy of ion hydration: Interface susceptibility and scaling with the ion size.
    Dinpajooh M; Matyushov DV
    J Chem Phys; 2015 Jul; 143(4):044511. PubMed ID: 26233149
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Incorporating excluded solvent volume and physical dipoles for computing solvation free energy.
    Yang PK
    J Mol Model; 2015 Jul; 21(7):180. PubMed ID: 26113115
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Characterization of the Coordination and Solvation Dynamics of Solvated Systems─Implications for the Analysis of Molecular Interactions in Solutions and Pure H
    Listyarini RV; Kriesche BM; Hofer TS
    J Chem Theory Comput; 2024 Apr; 20(8):3028-3045. PubMed ID: 38595064
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Thermodynamics of hydration of fullerols [C
    Keshri S; Tembe BL
    J Chem Phys; 2017 Feb; 146(7):074501. PubMed ID: 28228041
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Spatially-Decomposed Free Energy of Solvation Based on the Endpoint Density-Functional Method.
    Ishii Y; Yamamoto N; Matubayasi N; Zhang BW; Cui D; Levy RM
    J Chem Theory Comput; 2019 May; 15(5):2896-2912. PubMed ID: 30990682
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Dynamics of water in conical solvation shells around a benzene solute under different thermodynamic conditions.
    Choudhary A; Chandra A
    Phys Chem Chem Phys; 2018 Jul; 20(27):18328-18339. PubMed ID: 29938274
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Flexible Boundaries for Multiresolution Solvation: An Algorithm for Spatial Multiscaling in Molecular Dynamics Simulations.
    Szklarczyk OM; Bieler NS; Hünenberger PH; van Gunsteren WF
    J Chem Theory Comput; 2015 Nov; 11(11):5447-63. PubMed ID: 26574333
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The importance of excluded solvent volume effects in computing hydration free energies.
    Yang PK; Lim C
    J Phys Chem B; 2008 Nov; 112(47):14863-8. PubMed ID: 18956834
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Nature of hydration shells of a polyoxy-anion with a large cationic centre: The case of iodate ion in water.
    Sharma B; Chandra A
    J Comput Chem; 2018 Jul; 39(19):1226-1235. PubMed ID: 29450909
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. On the coupling of solvent characteristics to the electronic structure of solute molecules.
    Bogatko S; Cauët E; Geerlings P; De Proft F
    Phys Chem Chem Phys; 2014 Feb; 16(8):3807-14. PubMed ID: 24435016
    [TBL] [Abstract][Full Text] [Related]  

  • 16. SM6:  A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute-Water Clusters.
    Kelly CP; Cramer CJ; Truhlar DG
    J Chem Theory Comput; 2005 Nov; 1(6):1133-52. PubMed ID: 26631657
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Dynamic solvation shell and solubility of C60 in organic solvents.
    Wang CI; Hua CC; Chen SA
    J Phys Chem B; 2014 Aug; 118(33):9964-73. PubMed ID: 25084556
    [TBL] [Abstract][Full Text] [Related]  

  • 18. An explicit quantum chemical method for modeling large solvation shells applied to aminocoumarin C151.
    Neugebauer J; Jacob CR; Wesolowski TA; Baerends EJ
    J Phys Chem A; 2005 Sep; 109(34):7805-14. PubMed ID: 16834158
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Reliable molecular simulations of solute-solvent systems with a minimum number of solvent shells.
    Brancato G; Rega N; Barone V
    J Chem Phys; 2006 Jun; 124(21):214505. PubMed ID: 16774421
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A 3D-RISM-SCF method with dual solvent boxes for a highly polarized system: application to 1,6-anhydrosugar formation reaction of phenyl α- and β-D-glucosides under basic conditions.
    Aono S; Hosoya T; Sakaki S
    Phys Chem Chem Phys; 2013 May; 15(17):6368-81. PubMed ID: 23525092
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.