Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules

2015 ◽  
Vol 143 (5) ◽  
pp. 054110 ◽  
Author(s):  
Siqin Cao ◽  
Fu Kit Sheong ◽  
Xuhui Huang
Keyword(s):  
Analytical Theory ◽  
Density Inhomogeneity ◽  
Interaction Site ◽  
Site Model ◽  
Hydrophobic Solutes ◽  
Reference Interaction Site ◽  
Solvent Molecules

Role of Mg2+Ions in DNA Hydrolysis byEcoRV, Studied by the 3D-Reference Interaction Site Model and Molecular Dynamics

2018 ◽  
Vol 122 (39) ◽  
pp. 9061-9075 ◽  
Author(s):  
Itaru Onishi ◽  
Shunya Sunaba ◽  
Norio Yoshida ◽  
Fumio Hirata ◽  
Masayuki Irisa
Keyword(s):  
Molecular Dynamics ◽  
Dna Hydrolysis ◽  
Interaction Site ◽  
Site Model ◽  
Reference Interaction Site

Multigrid solver for the reference interaction site model of molecular liquids theory

2011 ◽  
Vol 32 (9) ◽  
pp. 1982-1992 ◽  
Author(s):  
Volodymyr P. Sergiievskyi ◽  
Wolfgang Hackbusch ◽  
Maxim V. Fedorov
Keyword(s):  
Molecular Liquids ◽  
Multigrid Solver ◽  
Interaction Site ◽  
Site Model ◽  
Reference Interaction Site

The Excluded Volume Problem in the Polymer Reference Interaction Site Model

1999 ◽  
Vol 32 (6) ◽  
pp. 2016-2027 ◽  
Author(s):  
Erik Nies ◽  
Suxin Wang ◽  
Rob H. C. Janssen ◽  
Peter Cifra
Keyword(s):  
Excluded Volume ◽  
Interaction Site ◽  
Site Model ◽  
Volume Problem ◽  
Reference Interaction Site
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