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swMATH14719MaRDI QIDQ26616

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Described by source

• Efficient and Qualified Mesh Generation for Gaussian Molecular Surface Using Adaptive Partition and Piecewise Polynomial Approximation

Related Items (21)

Model reduction-based initialization methods for solving the Poisson-Nernst-Planck equations in three-dimensional ion channel simulations ⋮ A local approximation of fundamental measure theory incorporated into three dimensional Poisson-Nernst-Planck equations to account for hard sphere repulsion among ions ⋮ Stabilized finite element methods to simulate the conductances of ion channels ⋮ Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy ⋮ Geometric and electrostatic modeling using molecular rigidity functions ⋮ Parallel higher-order boundary integral electrostatics computation on molecular surfaces with curved triangulation ⋮ A treecode-accelerated boundary integral Poisson-Boltzmann solver for electrostatics of solvated biomolecules ⋮ On developing stable finite element methods for pseudo-time simulation of biomolecular electrostatics ⋮ Automated Parallel and Body-Fitted Mesh Generation in Finite Element Simulation of Macromolecular Systems ⋮ A GPU-accelerated direct-sum boundary integral Poisson-Boltzmann solver ⋮ Unnamed Item ⋮ An Effective Finite Element Iterative Solver for a Poisson--Nernst--Planck Ion Channel Model with Periodic Boundary Conditions ⋮ DASHMM Accelerated Adaptive Fast Multipole Poisson-Boltzmann Solver on Distributed Memory Architecture ⋮ Superconvergent gradient recovery for nonlinear Poisson-Nernst-Planck equations with applications to the ion channel problem ⋮ Finite Element Modeling of Biomolecular Systems in Ionic Solution ⋮ On preconditioning the treecode-accelerated boundary integral (TABI) Poisson-Boltzmann solver ⋮ A super-Gaussian Poisson-Boltzmann model for electrostatic free energy calculation: smooth dielectric distribution for protein cavities and in both water and vacuum states ⋮ Planewave Density Interpolation Methods for 3D Helmholtz Boundary Integral Equations ⋮ Unnamed Item ⋮ Progress in developing Poisson-Boltzmann equation solvers ⋮ Parallel Adaptive Finite Element Algorithms for Solving the Coupled Electro-diffusion Equations

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