Minimization of Electrostatic Free Energy and the Poisson–Boltzmann Equation for Molecular Solvation with Implicit Solvent

From MaRDI portal
Revision as of 06:14, 5 February 2024 by Import240129110113 (talk | contribs) (Created automatically from import240129110113)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

Publication:3648583

DOI10.1137/080712350zbMath1180.35504OpenAlexW1990265247MaRDI QIDQ3648583

Bo Li

Publication date: 27 November 2009

Published in: SIAM Journal on Mathematical Analysis (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1137/080712350




Related Items (31)

A computational model of protein induced membrane morphology with geodesic curvature driven protein-membrane interfacePositivity-preserving third order DG schemes for Poisson-Nernst-Planck equationsQualitative properties of ionic flows via Poisson-Nernst-Planck systems with Bikerman's local hard-sphere potential: ion size effectsPoisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes. I: Finite element solutionsLegendre Transforms of Electrostatic Free-Energy FunctionalsA free energy satisfying finite difference method for Poisson-Nernst-Planck equationsNew solution decomposition and minimization schemes for Poisson-Boltzmann equation in calculation of biomolecular electrostaticsAccurate gradient approximation for complex interface problems in 3D by an improved coupling interface methodWeak formulations of the nonlinear Poisson-Boltzmann equation in biomolecular electrostaticsDiffused Solute-Solvent Interface with Poisson--Boltzmann Electrostatics: Free-Energy Variation and Sharp-Interface LimitConvergence of a diffuse interface Poisson-Boltzmann (PB) model to the sharp interface PB model: a unified regularization formulationA Maxwell–Ampère Nernst–Planck Framework for Modeling Charge DynamicsA new approach to constrained total variation solvation models and the study of solute-solvent interface profilesPB-Steric Equations: A General Model of Poisson–Boltzmann EquationsFinite ion size effects on ionic flows via Poisson-Nernst-Planck systems: higher order contributionsThe Dielectric Boundary Force in Molecular Solvation of the Generalized Poisson–Boltzmann Equation with Ionic SizesConvergence of phase-field free energy and boundary force for molecular solvationA new analysis of electrostatic free energy minimization and Poisson-Boltzmann equation for protein in ionic solventFinite element approximation to a finite-size modified Poisson-Boltzmann equationA flux-jump preserved gradient recovery technique for accurately predicting the electrostatic field of an immersed biomoleculeAnalysis of the Mean Field Free Energy Functional of Electrolyte Solution with Nonhomogenous Boundary Conditions and the Generalized PB/PNP Equations with Inhomogeneous Dielectric PermittivityA complete analysis of a classical Poisson-Nernst-Planck model for ionic flowNonlinear electrostatics: the Poisson–Boltzmann equationGlobal existence of solutions for the Poisson-Nernst-Planck system with steric effectsPassing from Discrete to Continuum Models of Electrostatic EnergyMany-particle limits in molecular solvationNumerical methods for solvent Stokes flow and solute-solvent interfacial dynamics of charged moleculesA Generalized Rayleigh--Plesset Equation for Ions with Solvent FluctuationsModified Poisson--Nernst--Planck Model with Coulomb and Hard-sphere CorrelationsHomogenization of the Poisson--Nernst--Planck equations for Ion Transport in Charged Porous MediaStability of a Cylindrical Solute-Solvent Interface: Effect of Geometry, Electrostatics, and Hydrodynamics







This page was built for publication: Minimization of Electrostatic Free Energy and the Poisson–Boltzmann Equation for Molecular Solvation with Implicit Solvent