# A Poisson-Boltzmann Equation Test Model for Protein in Spherical Solute Region and its Applications

Yi Jiang; Jinyong Ying; Dexuan Xie

Molecular Based Mathematical Biology (2014)

- Volume: 2, Issue: 1
- ISSN: 2299-3266

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topYi Jiang, Jinyong Ying, and Dexuan Xie. "A Poisson-Boltzmann Equation Test Model for Protein in Spherical Solute Region and its Applications." Molecular Based Mathematical Biology 2.1 (2014): null. <http://eudml.org/doc/267053>.

@article{YiJiang2014,

abstract = {The Poisson-Boltzmann equation (PBE) is one important implicit solvent continuum model for calculating electrostatics of protein in ionic solvent. Several numerical algorithms and program packages have been developed but verification and comparison between them remains an interesting topic. In this paper, a PBE test model is presented for a protein in a spherical solute region, along with its analytical solution. It is then used to verify a PBE finite element solver and applied to a numerical comparison study between a finite element solver and a finite difference solver. Such a study demonstrates the importance of retaining the interface conditions in the development of PBE solvers.},

author = {Yi Jiang, Jinyong Ying, Dexuan Xie},

journal = {Molecular Based Mathematical Biology},

keywords = {Poisson-Boltzmann equation; continuum electrostatics; finite element method; finite difference method; electrostatic potential},

language = {eng},

number = {1},

pages = {null},

title = {A Poisson-Boltzmann Equation Test Model for Protein in Spherical Solute Region and its Applications},

url = {http://eudml.org/doc/267053},

volume = {2},

year = {2014},

}

TY - JOUR

AU - Yi Jiang

AU - Jinyong Ying

AU - Dexuan Xie

TI - A Poisson-Boltzmann Equation Test Model for Protein in Spherical Solute Region and its Applications

JO - Molecular Based Mathematical Biology

PY - 2014

VL - 2

IS - 1

SP - null

AB - The Poisson-Boltzmann equation (PBE) is one important implicit solvent continuum model for calculating electrostatics of protein in ionic solvent. Several numerical algorithms and program packages have been developed but verification and comparison between them remains an interesting topic. In this paper, a PBE test model is presented for a protein in a spherical solute region, along with its analytical solution. It is then used to verify a PBE finite element solver and applied to a numerical comparison study between a finite element solver and a finite difference solver. Such a study demonstrates the importance of retaining the interface conditions in the development of PBE solvers.

LA - eng

KW - Poisson-Boltzmann equation; continuum electrostatics; finite element method; finite difference method; electrostatic potential

UR - http://eudml.org/doc/267053

ER -

## References

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