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Hybrid solvation models for electrostatic interactions in molecular dynamics simulations of ionic solvent
Title
Hybrid solvation models for electrostatic interactions in molecular dynamics simulations of ionic solvent
Author
Xiang, Ming
Date Created
2012
Description
In this dissertation, we mainly discuss the image approximation methods to the reaction field and their applications to electrostatic interactions in molecular dynamics simulations. The Poisson-Boltzman (PB) equation, a three-dimensional second or...
Hybrid solvation models for electrostatic interactions in molecular dynamics simulations of ionic solvent
Title
Hybrid solvation models for electrostatic interactions in molecular dynamics simulations of ionic solvent
Author
Xiang, Ming
Date Created
2012
Subjects--Topical
Mathematics, Biochemistry, Biophysics
Description
In this dissertation, we mainly discuss the image approximation methods to the reaction field and their applications to electrostatic interactions in molecular dynamics simulations. The Poisson-Boltzman (PB) equation, a three-dimensional second or...