AFMPB
AFMPB: an adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems. It is described an adaptive fast multipole Poisson-Boltzmann solver for computing the electrostatics in biomolecules. This solver combines the fast multipole method with the Krylov subspace methods, which are applied to solve a well-conditioned boundary integral equation of the linearized Poisson-Boltzmann equation. Numerical experiments show the efficiency of the method in the framework of relatively large molecules on current desktop computers.
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References in zbMATH (referenced in 7 articles )
Showing results 1 to 7 of 7.
Sorted by year (- Quan, Chaoyu; Stamm, Benjamin; Maday, Yvon: A domain decomposition method for the Poisson-Boltzmann solvation models (2019)
- Xie, Dexuan: New finite element iterative methods for solving a nonuniform ionic size modified Poisson-Boltzmann equation (2017)
- Zhang, Bo; Peng, Bo; Huang, Jingfang; Pitsianis, Nikos P.; Sun, Xiaobai; Lu, Benzhuo: Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy (2015)
- Geng, Weihua; Krasny, Robert: A treecode-accelerated boundary integral Poisson-Boltzmann solver for electrostatics of solvated biomolecules (2013)
- Lu, Benzhuo; Cheng, Xiaolin; Huang, Jingfang; McCammon, J. Andrew: AFMPB: an adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems (2013)
- Zhang, Bo; Huang, Jingfang; Pitsianis, Nikos P.; Sun, Xiaobai: A Fourier-series-based kernel-independent fast multipole method (2011)
- Lu, Benzhuo; Cheng, Xiaolin; Huang, Jingfang; McCammon, J. Andrew: AFMPB: an adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems (2010)