Numerical considerations in the computation of the electrostatic free energy of interaction within the Poisson-Boltzmann theory

DOI10.1006/JCPH.1997.5707zbMath0905.65119OpenAlexW2023203481MaRDI QIDQ1371981

B. Montgomery Pettitt, Babak Bagheri, Alexandru M. Micu, Andrew V. Ilin, L. Ridgway Scott

Publication date: 3 January 1999

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.1997.5707

zbMATH Keywords

finite element methodsfinite difference methodselectrostatic free energysphere in a continuum dielectricWatson-Crick base pairs

Mathematics Subject Classification ID

PDEs in connection with optics and electromagnetic theory (35Q60) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Finite difference methods for boundary value problems involving PDEs (65N06) Applications to the sciences (65Z05) Electro- and magnetostatics (78A30)

Related Items (2)

Efficient calculation of fully resolved electrostatics around large biomolecules ⋮ Calculation of electrostatic free energy for the nonlinear Poisson-Boltzmann model based on the dimensionless potential

Cites Work

• On the Theory of Strong Electrolyte Solutions
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