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Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy - MaRDI portal

Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy (Q311614)

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scientific article; zbMATH DE number 6626823
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Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy
scientific article; zbMATH DE number 6626823

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    Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy (English)
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    13 September 2016
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    Poisson-Boltzmann equation
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    boundary integral equation
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    automatic surface meshing
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    solvation free energy
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    fast multipole methods
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    parallelization
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    Cilk Plus
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