Enriched gradient recovery for interface solutions of the Poisson-Boltzmann equation
Accurate calculation of electrostatic potential and gradient on the molecular surface is highly desirable for the continuum and hybrid modeling of large scale deformation of biomolecules in solvent. In this article a new numerical method is proposed to calculate these quantities on the dielectric in...
| Veröffentlicht in: | Journal of computational physics. - 1986. - 421(2020) vom: 15. Nov. |
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| Format: | Online-Aufsatz |
| Sprache: | English |
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2020
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| Zugriff auf das übergeordnete Werk: | Journal of computational physics |
| Schlagworte: | Journal Article Biomolecular electrostatics Gradient recovery High accuracy Interface methods Numerical solution Poisson-Boltzmann equation |
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