A new analysis of electrostatic free energy minimization and Poisson-Boltzmann equation for protein in ionic solvent
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Publication:457589
DOI10.1016/j.nonrwa.2014.07.008zbMath1298.78036OpenAlexW1984350484MaRDI QIDQ457589
Publication date: 29 September 2014
Published in: Nonlinear Analysis. Real World Applications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.nonrwa.2014.07.008
variational methodsPoisson-Boltzmann equationelectrostatic free energyPDE constrained optimizationPoisson dielectric model
PDEs in connection with optics and electromagnetic theory (35Q60) Electro- and magnetostatics (78A30) Variational methods applied to problems in optics and electromagnetic theory (78M30)
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Cites Work
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- New solution decomposition and minimization schemes for Poisson-Boltzmann equation in calculation of biomolecular electrostatics
- A finite element method for interface problems in domains with smooth boundaries and interfaces
- Continuum solvation model: Computation of electrostatic forces from numerical solutions to the Poisson-Boltzmann equation
- Regularity results for elliptic equations in Lipschitz domains
- Finite element methods and their convergence for elliptic and parabolic interface problems
- Accurate evaluation of electrostatics for macromolecules in solution
- A new minimization protocol for solving nonlinear Poisson-Boltzmann mortar finite element equation
- A nonlinear elasticity model of macromolecular conformational change induced by electrostatic forces
- The immersed boundary method
- Minimization of Electrostatic Free Energy and the Poisson–Boltzmann Equation for Molecular Solvation with Implicit Solvent
- The Finite Element Approximation of the Nonlinear Poisson–Boltzmann Equation
- The Mathematical Theory of Finite Element Methods