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Literature DB >> 24437891

The application of the integral equation theory to study the hydrophobic interaction.

Tomaž Mohorič¹, Tomaz Urbic¹, Barbara Hribar-Lee¹.

Abstract

The Wertheim's integral equation theory was tested against newly obtained Monte Carlo computer simulations to describe the potential of mean force between two hydrophobic particles. An excellent agreement was obtained between the theoretical and simulation results. Further, the Wertheim's integral equation theory with polymer Percus-Yevick closure qualitatively correctly (with respect to the experimental data) describes the solvation structure under conditions where the simulation results are difficult to obtain with good enough accuracy.

Mesh：

Year: 2014 PMID： 24437891 PMCID： PMC3970826 DOI： 10.1063/1.4858398

Source DB: PubMed Journal: J Chem Phys ISSN： 0021-9606 Impact factor: 3.488

18 in total

1. Molecular dynamics simulations of pressure effects on hydrophobic interactions.

Authors: T Ghosh; A E García; S Garde
Journal: J Am Chem Soc Date: 2001-11-07 Impact factor: 15.419

2. Potential of mean force between two hydrophobic solutes in water.

Authors: Noel T Southall; Ken A Dill
Journal: Biophys Chem Date: 2002-12-10 Impact factor: 2.352

3. Heat capacity effects associated with the hydrophobic hydration and interaction of simple solutes: a detailed structural and energetical analysis based on molecular dynamics simulations.

Authors: Dietmar Paschek
Journal: J Chem Phys Date: 2004-06-08 Impact factor: 3.488

4. On the heat-capacity change of pairwise hydrophobic interactions.

Authors: Giuseppe Graziano
Journal: J Chem Phys Date: 2005-07-15 Impact factor: 3.488

5. Potential of mean force of hydrophobic association: dependence on solute size.

Authors: Emil Sobolewski; Mariusz Makowski; Cezary Czaplewski; Adam Liwo; Stanisław Ołdziej; Harold A Scheraga
Journal: J Phys Chem B Date: 2007-08-22 Impact factor: 2.991

6. The application of the thermodynamic perturbation theory to study the hydrophobic hydration.

Authors: Tomaz Mohoric; Tomaz Urbic; Barbara Hribar-Lee
Journal: J Chem Phys Date: 2013-07-14 Impact factor: 3.488

7. Comment on "The application of the thermodynamic perturbation theory to study the hydrophobic hydration" [J. Chem. Phys. 139, 024101 (2013)].

Authors: Giuseppe Graziano
Journal: J Chem Phys Date: 2013-09-28 Impact factor: 3.488

8. The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins.

Authors: G Hummer; S Garde; A E García; M E Paulaitis; L R Pratt
Journal: Proc Natl Acad Sci U S A Date: 1998-02-17 Impact factor: 11.205

The application of the integral equation theory to study the hydrophobic interaction.

1. Molecular dynamics simulations of pressure effects on hydrophobic interactions.

2. Potential of mean force between two hydrophobic solutes in water.

3. Heat capacity effects associated with the hydrophobic hydration and interaction of simple solutes: a detailed structural and energetical analysis based on molecular dynamics simulations.

4. On the heat-capacity change of pairwise hydrophobic interactions.

5. Potential of mean force of hydrophobic association: dependence on solute size.

6. The application of the thermodynamic perturbation theory to study the hydrophobic hydration.

7. Comment on "The application of the thermodynamic perturbation theory to study the hydrophobic hydration" [J. Chem. Phys. 139, 024101 (2013)].

8. The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins.

9. Unifying microscopic mechanism for pressure and cold denaturations of proteins.

10. Monte Carlo simulation and self-consistent integral equation theory for polymers in quenched random media.

1. Analytical theory of the hydrophobic effect of solutes in water.

2. Influence of Temperature and Salt Concentration on the Hydrophobic Interactions of Adamantane and Hexane.