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JCC
2010
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13 years 11 months ago
A first-order system least-squares finite element method for the Poisson-Boltzmann equation
The Poisson-Boltzmann equation is an important tool in modeling solvent in biomolecular systems. In this paper, we focus on numerical approximations to the electrostatic potential...
Stephen D. Bond, Jehanzeb Hameed Chaudhry, Eric C....
ICCS
2003
Springer
14 years 5 months ago
Monte Carlo Method for Calculating the Electrostatic Energy of a Molecule
The problem of computing the electrostatic energy of a large molecule is considered. It is reduced to solving the Poisson equation inside and the linear Poisson-Boltzmann equation ...
Michael Mascagni, Nikolai A. Simonov