Recent progress in numerical methods for the Poisson-Boltzmann equation in biophysical applications

被引：0

作者：

Lu, B. Z. ^{[1
,3
]}

Zhou, Y. C. ^{[1
,2
,3
]}

Holst, M. J. ^{[2
,3
]}

McCammon, J. A. ^{[1
,3
,4
,5
]}

机构：

[1] Univ Calif San Diego, Howard Hughes Med Inst, La Jolla, CA 92093 USA

[2] Univ Calif San Diego, Dept Math, La Jolla, CA 92093 USA

[3] Univ Calif San Diego, Ctr Theoret Biol Phys, La Jolla, CA 92093 USA

[4] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA

[5] Univ Calif San Diego, Dept Pharmacol, La Jolla, CA 92093 USA

来源：

COMMUNICATIONS IN COMPUTATIONAL PHYSICS | 2008年 / 3卷 / 05期

关键词：

biomolecular electrostatics; Poisson-Boltzmann equation; numerical methods; finite difference methods; finite element methods; boundary element methods; adaptive methods; hybrid methods; mesh generation; electrostatic forces;

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Efficiency and accuracy are two major concerns in numerical solutions of the Poisson-Boltzmann equation for applications in chemistry and biophysics. Recent developments in boundary element methods, interface methods, adaptive methods, finite element methods, and other approaches for the Poisson-Boltzmann equation as well as related mesh generation techniques are reviewed. We also discussed the challenging problems and possible future work, in particular, for the aim of biophysical applications.

引用

页码：973 / 1009

页数：37

共 173 条

[1] Dipolar Poisson-Boltzmann equation: Ions and dipoles close to charge interfaces [J].