Fully implicit ADI schemes for solving the nonlinear Poisson-Boltzmann equation
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alternating direction implicit schemeelectrostatic potentialmolecular surfacenonlinear Poisson-Boltzmann equationoperator splittingsolvation free energy
Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Finite difference methods for boundary value problems involving PDEs (65N06) Computational methods for problems pertaining to biology (92-08) Biophysics (92C05) Biochemistry, molecular biology (92C40)
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Cites work
- A generalized Douglas ADI method for solving three‐dimensional parabolic differential equations on multilayers
- A GPU-accelerated direct-sum boundary integral Poisson-Boltzmann solver
- A treecode-accelerated boundary integral Poisson-Boltzmann solver for electrostatics of solvated biomolecules
- Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns
- Computing the Ground State Solution of Bose--Einstein Condensates by a Normalized Gradient Flow
- Continuum solvation model: Computation of electrostatic forces from numerical solutions to the Poisson-Boltzmann equation
- Differential geometry based multiscale models
- Differential geometry based solvation model. I: Eulerian formulation
- Geometric and potential driving formation and evolution of biomolecular surfaces
- High order matched interface and boundary method for elliptic equations with discontinuous coefficients and singular sources
- scientific article; zbMATH DE number 2152342 (Why is no real title available?)
- scientific article; zbMATH DE number 5038548 (Why is no real title available?)
- Local spectral time splitting method for first- and second-order partial differential equations
- On time-splitting spectral approximations for the Schrödinger equation in the semiclassical regime
- Operator splitting implicit integration factor methods for stiff reaction-diffusion-advection systems
- Parallel higher-order boundary integral electrostatics computation on molecular surfaces with curved triangulation
- Pseudo-time-coupled nonlinear models for biomolecular surface representation and solvation analysis
- The electric potential of a macromolecule in a solvent: A fundamental approach
- Theory of Solutions of Molecules Containing Widely Separated Charges with Special Application to Zwitterions
Cited in
(16)- On developing stable finite element methods for pseudo-time simulation of biomolecular electrostatics
- A two-component matched interface and boundary (MIB) regularization for charge singularity in implicit solvation
- A spatially second order alternating direction implicit (ADI) method for solving three dimensional parabolic interface problems
- A matched Peaceman-Rachford ADI method for solving parabolic interface problems
- A Newton-like iterative method implemented in the DelPhi for solving the nonlinear Poisson-Boltzmann equation
- Pseudo-transient ghost fluid methods for the Poisson-Boltzmann equation with a two-component regularization
- 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 matched alternating direction implicit (ADI) method for solving the heat equation with interfaces
- Galerkin-Chebyshev pseudo spectral method and a split step new approach for a class of two dimensional semi-linear parabolic equations of second order
- Multi-core CPU or GPU-accelerated multiscale modeling for biomolecular complexes
- A new discontinuous Galerkin method for the nonlinear Poisson-Boltzmann equation
- Unconditionally stable time splitting methods for the electrostatic analysis of solvated biomolecules
- Operator splitting ADI schemes for pseudo-time coupled nonlinear solvation simulations
- An Adaptive, Finite Difference Solver for the Nonlinear Poisson-Boltzmann Equation with Applications to Biomolecular Computations
- A Poisson-Boltzmann solver on irregular domains with Neumann or Robin boundary conditions on non-graded adaptive grid
- Adaptive numerical method for Poisson-Boltzmann equation and its application
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