Hydration free energy of hydrophobic solutes studied by a reference interaction site model with a repulsive bridge correction and a thermodynamic perturbation method

2000 ◽  
Vol 113 (7) ◽  
pp. 2793-2805 ◽  
Author(s):  
Andriy Kovalenko ◽  
Fumio Hirata
Keyword(s):  
Free Energy ◽  
Perturbation Method ◽  
Hydration Free Energy ◽  
Interaction Site ◽  
Site Model ◽  
Hydrophobic Solutes ◽  
Reference Interaction Site ◽  
Thermodynamic Perturbation

scholarly journals Solvation free-energy pressure corrections in the three dimensional reference interaction site model

2015 ◽  
Vol 143 (18) ◽  
pp. 184116 ◽  
Author(s):  
Volodymyr Sergiievskyi ◽  
Guillaume Jeanmairet ◽  
Maximilien Levesque ◽  
Daniel Borgis
Keyword(s):  
Free Energy ◽  
Three Dimensional ◽  
Solvation Free Energy ◽  
Interaction Site ◽  
Site Model ◽  
Reference Interaction Site

Effect of Molecular Orientational Correlations on Solvation Free Energy Computed by Reference Interaction Site Model Theory

2019 ◽  
Vol 59 (9) ◽  
pp. 3770-3781 ◽  
Author(s):  
Shoichi Tanimoto ◽  
Norio Yoshida ◽  
Tsuyoshi Yamaguchi ◽  
Seiichiro L. Ten-no ◽  
Haruyuki Nakano
Keyword(s):  
Free Energy ◽  
Model Theory ◽  
Solvation Free Energy ◽  
Interaction Site ◽  
Site Model ◽  
Reference Interaction Site
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