A regularization approach for solving the super-Gaussian Poisson-Boltzmann model with heterogeneous dielectric functions
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Publication:2672786
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Cites work
- scientific article; zbMATH DE number 3895476 (Why is no real title available?)
- scientific article; zbMATH DE number 2208228 (Why is no real title available?)
- A regularization approach for solving Poisson's equation with singular charge sources and diffuse interfaces
- A super-Gaussian Poisson-Boltzmann model for electrostatic free energy calculation: smooth dielectric distribution for protein cavities and in both water and vacuum states
- A two-component matched interface and boundary (MIB) regularization for charge singularity in implicit solvation
- Accurate evaluation of electrostatics for macromolecules in solution
- Adaptive finite element modeling techniques for the Poisson-Boltzmann equation
- An Adaptive, Finite Difference Solver for the Nonlinear Poisson-Boltzmann Equation with Applications to Biomolecular Computations
- Benchmarking electrostatic free energy of the nonlinear Poisson-Boltzmann model for the Kirkwood sphere
- Computational modeling of protein conformational changes -- application to the opening SARS-CoV-2 spike
- Convergence of phase-field free energy and boundary force for molecular solvation
- Efficient calculation of fully resolved electrostatics around large biomolecules
- Geometric and potential driving formation and evolution of biomolecular surfaces
- New solution decomposition and minimization schemes for Poisson-Boltzmann equation in calculation of biomolecular electrostatics
- On developing stable finite element methods for pseudo-time simulation of biomolecular electrostatics
- On regularization of charge singularities in solving the Poisson-Boltzmann equation with a smooth solute-solvent boundary
- Potential Space Estimates for Green Potentials in Convex Domains
- Pseudo-transient ghost fluid methods for the Poisson-Boltzmann equation with a two-component regularization
- Range-separated tensor decomposition of the discretized Dirac delta and elliptic operator inverse
- Regularization methods for the Poisson-Boltzmann equation: comparison and accuracy recovery
- Regularization of Poisson-Boltzmann-type equations with singular source terms using the range-separated tensor format
- Reproducing ensemble averaged electrostatics with super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes
- The Finite Element Approximation of the Nonlinear Poisson–Boltzmann Equation
- Unified construction of Green's functions for Poisson's equation in inhomogeneous media with diffuse interfaces
Cited in
(3)- Regularization of the Ostwald supersaturation model for Liesegang bands
- Convergence of a diffuse interface Poisson-Boltzmann (PB) model to the sharp interface PB model: a unified regularization formulation
- Calculation of electrostatic free energy for the nonlinear Poisson-Boltzmann model based on the dimensionless potential
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