AFMPB: an adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems (Q5892500)
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scientific article; zbMATH DE number 5901241
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | AFMPB: an adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems |
scientific article; zbMATH DE number 5901241 |
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AFMPB: an adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems (English)
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31 May 2011
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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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Poisson-Boltzmann equation
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boundary integral equation
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node-patch method
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Krylov subspace methods
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fast multipole methods
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diagonal translations
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software tool \texttt{AFMPB}
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1.0000001
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0.90521944
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0.9001564
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0.89484423
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0.8886874
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0.8795319
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0.8784777
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