APBS
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Cited in
(only showing first 100 items - show all)- A finite element recovery approach to Green's function approximations with applications to electrostatic potential computation
- NanoShaper
- ISIM
- AMBER
- NAMD
- PRONTO3D
- Gromacs
- A two-component matched interface and boundary (MIB) regularization for charge singularity in implicit solvation
- Fractional Poisson-Nernst-Planck model for ion channels. I: Basic formulations and algorithms
- An implicit boundary integral method for computing electric potential of macromolecules in solvent
- CHARMM
- Local and parallel finite element algorithms for eigenvalue problems
- Accurate evaluation of electrostatics for macromolecules in solution
- PetFMM
- Goal-oriented adaptivity and multilevel preconditioning for the Poisson-Boltzmann equation
- Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns
- Delphi
- On regularization of charge singularities in solving the Poisson-Boltzmann equation with a smooth solute-solvent boundary
- A data-driven framework for sparsity-enhanced surrogates with arbitrary mutually dependent randomness
- FISHPAK
- Browndye
- Macrodox
- UHBD
- SDA
- MIBPB
- PIM
- An efficient finite element iterative method for solving a nonuniform size modified Poisson-Boltzmann ion channel model
- AFMPB
- LINCS
- FFTSVD
- Fastcap
- Model reduction-based initialization methods for solving the Poisson-Nernst-Planck equations in three-dimensional ion channel simulations
- Regularization methods for the Poisson-Boltzmann equation: comparison and accuracy recovery
- Efficient calculation of fully resolved electrostatics around large biomolecules
- PyMOL
- On variational iterative methods for semilinear problems
- The de Rham-Hodge analysis and modeling of biomolecules
- The calculus of boundary variations and the dielectric boundary force in the Poisson-Boltzmann theory for molecular solvation
- FEtk
- GAMER
- A hybrid solver of size modified Poisson-Boltzmann equation by domain decomposition, finite element, and finite difference
- On preconditioning the treecode-accelerated boundary integral (TABI) Poisson-Boltzmann solver
- Fast and scalable algorithms for constructing solvent-excluded surfaces of large biomolecules
- A super-Gaussian Poisson-Boltzmann model for electrostatic free energy calculation: smooth dielectric distribution for protein cavities and in both water and vacuum states
- An optimal Schwarz preconditioner for a class of parallel adaptive finite elements
- A new finite element and finite difference hybrid method for computing electrostatics of ionic solvated biomolecule
- A new FFT-based algorithm to compute Born radii in the generalized Born theory of biomolecule solvation
- On the convergence of an optimal additive Schwarz method for parallel adaptive finite elements
- PHG
- ``New-version-fast-multipole-method accelerated electrostatic calculations in biomolecular sys\-tems
- Local averaging based a posteriori finite element error control for quasilinear elliptic problems with application to electrical potential computation
- Lattice evolution solution for the nonlinear Poisson-Boltzmann equation in confined domains
- A new minimization protocol for solving nonlinear Poisson-Boltzmann mortar finite element equation
- F2Dock
- SETTLE
- Iterative convex quadratic approximation for global optimization in protein docking
- TexMol
- PDB2PQR
- MolEnergy
- Quality meshing of implicit solvation models of biomolecular structures
- Geometry-guided computation of 3D electrostatics for large biomolecules
- A class of difference schemes with flexible local approximation
- MCCE2
- QTM
- Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes. I: Finite element solutions
- TMSmesh
- A new approach to constrained total variation solvation models and the study of solute-solvent interface profiles
- A Cartesian FMM-accelerated Galerkin boundary integral Poisson-Boltzmann solver
- BIEPACK
- PAFMPB
- Progress in developing Poisson-Boltzmann equation solvers
- A stochastic solver of the generalized Born model
- Fully implicit ADI schemes for solving the nonlinear Poisson-Boltzmann equation
- PBEQ-Solver
- SDPBS
- DelPhi Web Server
- PyGBe
- TOMOBFLOW
- TABI
- VMD
- Fast molecular solvation energetics and forces computation
- An efficient higher-order fast multipole boundary element solution for Poisson-Boltzmann-based molecular electrostatics
- Fast analytical methods for macroscopic electrostatic models in biomolecular simulations
- Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy
- SG
- SDPBS web server for calculation of electrostatics of ionic solvated biomolecules
- A boundary integral Poisson-Boltzmann solvers package for solvated bimolecular simulations
- FreeSASA
- scientific article; zbMATH DE number 5669486 (Why is no real title available?)
- Apbsmem
- 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
- Multiscale geometric modeling of macromolecules. I: Cartesian representation
- New solution decomposition and minimization schemes for Poisson-Boltzmann equation in calculation of biomolecular electrostatics
- Radial basis collocation method and quasi-Newton iteration for nonlinear elliptic problems
- SMPBS
- ESES
- ReebHanTun
- A weighted adaptive least-squares finite element method for the Poisson-Boltzmann equation
- ISIM: A Program for Grand Canonical Monte Carlo Simulations of the Ionic Environment of Biomolecules
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