Numerical Study of the Poisson-Boltzmann Equation for Biomolecular Electrostatics
Name
HPCES001.pdf
Size
95.98 KB
Format
Adobe PDF
Checksum (MD5)
10ac3c0a3c137121f10e17b9fa730993
Author(s)
Tan, Lian Hing
Lim, Kian Meng
White, Jacob K.
Date Issued
January 2006
Series/Report no.
High Performance Computation for Engineered Systems (HPCES)
Abstract
Electrostatics interaction plays a very important role in almost all biomolecular systems. The Poisson-Boltzmann equation is widely used to treat this electrostatic effect in an ionic solution. In this work, a simple mixed discrete-continuum model is considered and boundary element method is used to solve for the solution.
Subjects
Boundary Element Method
Biomolecular electrostatics
Poisson-Boltzmann Equation
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