Solvation structure, thermodynamics, and conformational dependence of alanine dipeptide in aqueous solution analyzed with reference interaction site model theory

The Journal of Chemical Physics ◽

10.1063/1.1524617 ◽

2003 ◽

Vol 118 (1) ◽

pp. 279-290 ◽

Author(s):

Qizhi Cui ◽

Vedene H. Smith

Keyword(s):

Aqueous Solution ◽

Model Theory ◽

Interaction Site ◽

Solvation Structure ◽

Reference Interaction Site ◽

Alanine Dipeptide

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Analysis of solvation structure and thermodynamics of ethane and propane in water by reference interaction site model theory using all-atom models

The Journal of Chemical Physics ◽

10.1063/1.1384421 ◽

2001 ◽

Vol 115 (5) ◽

pp. 2228-2236 ◽

Author(s):

Qizhi Cui ◽

Vedene H. Smith

Keyword(s):

Model Theory ◽

Interaction Site ◽

Solvation Structure ◽

Reference Interaction Site

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Solvation Structure, Thermodynamics, and Molecular Conformational Equilibria forn-Butane in Water Analyzed by Reference Interaction Site Model Theory Using an All-Atom Solute Model

The Journal of Physical Chemistry B ◽

10.1021/jp020191n ◽

2002 ◽

Vol 106 (25) ◽

pp. 6554-6565 ◽

Author(s):

Qizhi Cui ◽

Vedene H. Smith

Keyword(s):

Model Theory ◽

Interaction Site ◽

Conformational Equilibria ◽

Solvation Structure ◽

Reference Interaction Site

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A two-dimensional-reference interaction site model theory for solvation structure near solid-liquid interface

The Journal of Chemical Physics ◽

10.1063/1.3668468 ◽

2011 ◽

Vol 135 (24) ◽

pp. 244702 ◽

Author(s):

Kenji Iida ◽

Hirofumi Sato

Keyword(s):

Model Theory ◽

Liquid Interface ◽

Two Dimensional ◽

Interaction Site ◽

Solvation Structure ◽

Reference Interaction Site ◽

Solid Liquid Interface ◽

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Combination of the Replica-Exchange Monte Carlo Method and the Reference Interaction Site Model Theory for Simulating a Peptide Molecule in Aqueous Solution

The Journal of Physical Chemistry B ◽

10.1021/jp047824d ◽

2004 ◽

Vol 108 (49) ◽

pp. 19002-19012 ◽

Author(s):

Ayori Mitsutake ◽

Masahiro Kinoshita ◽

Yuko Okamoto ◽

Fumio Hirata

Keyword(s):

Aqueous Solution ◽

Monte Carlo ◽

Monte Carlo Method ◽

Model Theory ◽

Replica Exchange ◽

Interaction Site ◽

Peptide Molecule ◽

Replica Exchange Monte Carlo ◽

Reference Interaction Site

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Analysis of solvation structure and thermodynamics of methane in water by reference interaction site model theory using an all-atom model

The Journal of Chemical Physics ◽

10.1063/1.1313788 ◽

2000 ◽

Vol 113 (22) ◽

pp. 10240-10245 ◽

Author(s):

Qizhi Cui ◽

Vedene H. Smith

Keyword(s):

Model Theory ◽

Interaction Site ◽

Solvation Structure ◽

Reference Interaction Site

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Potentials of mean force of simple ions in ambient aqueous solution. II. Solvation structure from the three-dimensional reference interaction site model approach, and comparison with simulations

The Journal of Chemical Physics ◽

10.1063/1.481677 ◽

2000 ◽

Vol 112 (23) ◽

pp. 10403-10417 ◽

Author(s):

Andriy Kovalenko ◽

Fumio Hirata

Keyword(s):

Aqueous Solution ◽

Three Dimensional ◽

Interaction Site ◽

Solvation Structure ◽

Potentials Of Mean Force ◽

Reference Interaction Site ◽

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Solvation structure and stability of peptides in aqueous solutions analyzed by the reference interaction site model theory

The Journal of Chemical Physics ◽

10.1063/1.474511 ◽

1997 ◽

Vol 107 (5) ◽

pp. 1586-1599 ◽

Author(s):

Masahiro Kinoshita ◽

Yuko Okamoto ◽

Fumio Hirata

Keyword(s):

Aqueous Solutions ◽

Model Theory ◽

Interaction Site ◽

Structure And Stability ◽

Solvation Structure ◽

Reference Interaction Site

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Solute-structure dependence of solvation dynamics studied by reference interaction-site model theory

The Journal of Chemical Physics ◽

10.1063/1.1532345 ◽

2003 ◽

Vol 118 (5) ◽

pp. 2279-2285 ◽

Author(s):

Katsura Nishiyama ◽

Fumio Hirata ◽

Tadashi Okada

Keyword(s):

Model Theory ◽

Solvation Dynamics ◽

Structure Dependence ◽

Interaction Site ◽

Reference Interaction Site

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Comparison of DNA hydration patterns obtained using two distinct computational methods, molecular dynamics simulation and three-dimensional reference interaction site model theory

The Journal of Chemical Physics ◽

10.1063/1.2904865 ◽

2008 ◽

Vol 128 (18) ◽

pp. 185102 ◽

Author(s):

Yoshiteru Yonetani ◽

Yutaka Maruyama ◽

Fumio Hirata ◽

Hidetoshi Kono

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Computational Methods ◽

Model Theory ◽

Three Dimensional ◽

Dynamics Simulation ◽

Interaction Site ◽

Dna Hydration ◽

Reference Interaction Site

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Thermodynamically consistent reference interaction site model theory of the tangent diatomic fluid

Chemical Physics Letters ◽

10.1016/j.cplett.2009.01.064 ◽

2009 ◽

Vol 470 (4-6) ◽

pp. 240-243 ◽

Author(s):

G. Munaò ◽

D. Costa ◽

C. Caccamo

Keyword(s):

Model Theory ◽

Interaction Site ◽

Reference Interaction Site

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