tabipb

swMATH43645MaRDI QIDQ5975031FDOQ5975031

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Described by source

• A treecode-accelerated boundary integral Poisson-Boltzmann solver for electrostatics of solvated biomolecules
• Computing electrostatic binding energy with the TABI Poisson-Boltzmann solver

Cited In (31)

• An integral equation formulation of the N-body dielectric spheres problem. Part II: complexity analysis
• The de Rham-Hodge analysis and modeling of biomolecules
• A treecode based on barycentric Hermite interpolation for electrostatic particle interactions
• On preconditioning the treecode-accelerated boundary integral (TABI) Poisson-Boltzmann solver
• An asymptotic preserving Maxwell solver resulting in the Darwin limit of electrodynamics
• An implicit boundary integral method for computing electric potential of macromolecules in solvent
• An \(O(N \log N)\) hierarchical random compression method for kernel matrices by sampling partial matrix entries
• On developing stable finite element methods for pseudo-time simulation of biomolecular electrostatics
• New solution decomposition and minimization schemes for Poisson-Boltzmann equation in calculation of biomolecular electrostatics
• A computational model of protein induced membrane morphology with geodesic curvature driven protein-membrane interface
• Accurate PKa Computation Using Matched Interface and Boundary (MIB) Method Based Poisson-Boltzmann Solver
• Parallel higher-order boundary integral electrostatics computation on molecular surfaces with curved triangulation
• A GPU-accelerated direct-sum boundary integral Poisson-Boltzmann solver
• Modeling and computation of heterogeneous implicit solvent and its applications for biomolecules
• A boundary integral Poisson-Boltzmann solvers package for solvated bimolecular simulations
• Enriched gradient recovery for interface solutions of the Poisson-Boltzmann equation
• A Treecode Algorithm for 3D Stokeslets and Stresslets
• Poisson-Boltzmann model for protein-surface electrostatic interactions and grid-convergence study using the \textsc{PyGBe} code
• Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy
• SDPBS web server for calculation of electrostatics of ionic solvated biomolecules
• DASHMM Accelerated Adaptive Fast Multipole Poisson-Boltzmann Solver on Distributed Memory Architecture
• A two-component matched interface and boundary (MIB) regularization for charge singularity in implicit solvation
• A Kernel-Independent Treecode for General Rotne-Prager-Yamakawa Tensor
• Efficient implementation of the Barnes-Hut octree algorithm for Monte Carlo simulations of charged systems
• A Domain Decomposition Method for the Poisson--Boltzmann Solvation Models
• Harmonic Surface Mapping Algorithm for Electrostatic Potentials in an Atomistic/Continuum Hybrid Model for Electrolyte Solutions
• Modeling and computation of heterogeneous implicit solvent and its applications for biomolecules
• A Kernel-Independent Treecode Based on Barycentric Lagrange Interpolation
• Fully implicit ADI schemes for solving the nonlinear Poisson-Boltzmann equation
• Multi-core CPU or GPU-accelerated multiscale modeling for biomolecular complexes
• Regularization methods for the Poisson-Boltzmann equation: comparison and accuracy recovery

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