Molecular Recognition in Biomolecules Studied by Statistical-Mechanical Integral-Equation Theory of Liquids

The Journal of Physical Chemistry B ◽

10.1021/jp807068k ◽

2009 ◽

Vol 113 (4) ◽

pp. 873-886 ◽

Author(s):

Norio Yoshida ◽

Takashi Imai ◽

Saree Phongphanphanee ◽

Andriy Kovalenko ◽

Fumio Hirata

Keyword(s):

Integral Equation ◽

Molecular Recognition ◽

Integral Equation Theory ◽

Theory Of Liquids ◽

Statistical Mechanical

Download Full-text

Selective Ion Binding by Protein Probed with the Statistical Mechanical Integral Equation Theory

The Journal of Physical Chemistry B ◽

10.1021/jp0685535 ◽

2007 ◽

Vol 111 (17) ◽

pp. 4588-4595 ◽

Author(s):

Norio Yoshida ◽

Saree Phongphanphanee ◽

Fumio Hirata

Keyword(s):

Integral Equation ◽

Integral Equation Theory ◽

Ion Binding ◽

Statistical Mechanical

Download Full-text

Generating functionals, consistency, and uniqueness in the integral equation theory of liquids

The Journal of Chemical Physics ◽

10.1063/1.1590642 ◽

2003 ◽

Vol 119 (7) ◽

pp. 3810-3819 ◽

Author(s):

R. Fantoni ◽

G. Pastore

Keyword(s):

Integral Equation ◽

Integral Equation Theory ◽

Theory Of Liquids

Download Full-text

2P070 Selective ion-binding by protein probed with the statistical mechanical integral equation theory(30. Protein function (II),Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)

Seibutsu Butsuri ◽

10.2142/biophys.46.s313_2 ◽

2006 ◽

Vol 46 (supplement2) ◽

pp. S313

Author(s):

Norio Yoshida ◽

Saree Phongphanphanee ◽

Fumio Hirata

Keyword(s):

Integral Equation ◽

Protein Function ◽

Poster Session ◽

Integral Equation Theory ◽

Ion Binding ◽

Meeting Program ◽

Statistical Mechanical

Download Full-text

Role of Solvation in Drug Design as Revealed by the Statistical Mechanics Integral Equation Theory of Liquids

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.7b00389 ◽

2017 ◽

Vol 57 (11) ◽

pp. 2646-2656 ◽

Author(s):

Norio Yoshida

Keyword(s):

Integral Equation ◽

Drug Design ◽

Statistical Mechanics ◽

Integral Equation Theory ◽

Theory Of Liquids

Download Full-text

Selective ion binding by human lysozyme studied by the statistical mechanical integral equation theory

Recent Progress in Computational Sciences and Engineering ◽

10.1201/9780429070655-181 ◽

2019 ◽

pp. 799-802

Author(s):

N. Yoshida ◽

S. Phongphanphanee ◽

F. Hirata

Keyword(s):

Integral Equation ◽

Integral Equation Theory ◽

Ion Binding ◽

Human Lysozyme ◽

Statistical Mechanical

Download Full-text

Localization and visualization of excess chemical potential in statistical mechanical integral equation theory 3D-HNC-RISM

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2007.08.007 ◽

2008 ◽

Vol 26 (6) ◽

pp. 1014-1019 ◽

Author(s):

Qi-Shi Du ◽

Peng-Jun Liu ◽

Ri-Bo Huang

Keyword(s):

Integral Equation ◽

Chemical Potential ◽

Integral Equation Theory ◽

Excess Chemical Potential ◽

Statistical Mechanical

Download Full-text

Ion Hydration: Thermodynamic and Structural Analysis with an Integral Equation Theory of Liquids

The Journal of Physical Chemistry B ◽

10.1021/jp9608786 ◽

1997 ◽

Vol 101 (16) ◽

pp. 3209-3220 ◽

Author(s):

Song-Ho Chong ◽

Fumio Hirata

Keyword(s):

Integral Equation ◽

Structural Analysis ◽

Integral Equation Theory ◽

Ion Hydration ◽

Theory Of Liquids

Download Full-text

Configurational entropy of protein: A combined approach based on molecular simulation and integral-equation theory of liquids

Chemical Physics Letters ◽

10.1016/j.cplett.2011.02.006 ◽

2011 ◽

Vol 504 (4-6) ◽

pp. 225-229 ◽

Author(s):

Song-Ho Chong ◽

Sihyun Ham

Keyword(s):

Integral Equation ◽

Molecular Simulation ◽

Protein A ◽

Configurational Entropy ◽

Integral Equation Theory ◽

Combined Approach ◽

Theory Of Liquids

Download Full-text

Structure of a simple fluid in the vicinity of the critical point: Approximate integral equation theory of liquids

The Journal of Chemical Physics ◽

10.1063/1.1576373 ◽

2003 ◽

Vol 119 (1) ◽

pp. 373-378 ◽

Author(s):

G. N. Sarkisov

Keyword(s):

Integral Equation ◽

Critical Point ◽

Integral Equation Theory ◽

Simple Fluid ◽

Approximate Integral ◽

Theory Of Liquids

Download Full-text

Model for calculating the free energy of hydration of bioactive compounds based on integral equation theory of liquids

Russian Journal of Physical Chemistry B ◽

10.1134/s1990793111020382 ◽

2011 ◽

Vol 5 (2) ◽

pp. 326-331 ◽

Author(s):

V. P. Sergiievskyi

Keyword(s):

Integral Equation ◽

Free Energy ◽

Bioactive Compounds ◽

Integral Equation Theory ◽

Theory Of Liquids ◽

Energy Of Hydration ◽

Free Energy Of Hydration

Download Full-text