Fast Boundary Element Method for the Linear Poisson−Boltzmann Equation
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Biomolecular electrostatics and solvation: a computational perspectiveNonlocal Electrostatics in Spherical Geometries Using Eigenfunction Expansions of Boundary-Integral Operators.Exploring a charge-central strategy in the solution of Poisson's equation for biomolecular applicationsMultivalent ion-mediated nucleic acid helix-helix interactions: RNA versus DNA.Numerical integration techniques for curved-element discretizations of molecule-solvent interfaces.Discretization of the induced-charge boundary integral equation.Continuous development of schemes for parallel computing of the electrostatics in biological systems: implementation in DelPhi.An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions.Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis.Mathematical analysis of the boundary-integral based electrostatics estimation approximation for molecular solvation: exact results for spherical inclusions.Dielectric pressure in continuum electrostatic solvation of biomolecules.Features of CPB: a Poisson-Boltzmann solver that uses an adaptive Cartesian gridHighly efficient and exact method for parallelization of grid-based algorithms and its implementation in DelPhi.Electrostatic forces in the Poisson-Boltzmann systems.On removal of charge singularity in Poisson-Boltzmann equation.Monte Carlo-based linear Poisson-Boltzmann approach makes accurate salt-dependent solvation free energy predictions possible.Numerical interpretation of molecular surface field in dielectric modeling of solvation.Treating ion distribution with Gaussian-based smooth dielectric function in DelPhi.Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory.pK(A) in proteins solving the Poisson-Boltzmann equation with finite elements.O(NlogN) continuous electrostatics method for fast calculation of solvation energies of biomolecules.Comparison of three-dimensional poisson solution methods for particle-based simulation and inhomogeneous dielectrics.An iterative, fast, linear-scaling method for computing induced charges on arbitrary dielectric boundaries.Treecode algorithm for pairwise electrostatic interactions with solvent-solute polarization.Numerical solution of boundary-integral equations for molecular electrostatics.Treatment of charge singularities in implicit solvent models.Treatment of geometric singularities in implicit solvent models.Continuum description of ionic and dielectric shielding for molecular-dynamics simulations of proteins in solution.Solution of the linearized Poisson-Boltzmann equation.Biological applications of classical electrostatics methodsRecent progress in adapting Poisson–Boltzmann methods to molecular simulationsA Poisson–Boltzmann dynamics method with nonperiodic boundary condition
P2860
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P2860
Fast Boundary Element Method for the Linear Poisson−Boltzmann Equation
description
im März 2002 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в березні 2002
@uk
name
Fast Boundary Element Method for the Linear Poisson−Boltzmann Equation
@en
Fast Boundary Element Method for the Linear Poisson−Boltzmann Equation
@nl
type
label
Fast Boundary Element Method for the Linear Poisson−Boltzmann Equation
@en
Fast Boundary Element Method for the Linear Poisson−Boltzmann Equation
@nl
prefLabel
Fast Boundary Element Method for the Linear Poisson−Boltzmann Equation
@en
Fast Boundary Element Method for the Linear Poisson−Boltzmann Equation
@nl
P2093
P356
P1476
Fast Boundary Element Method for the Linear Poisson−Boltzmann Equation
@en
P2093
Alexander H. Boschitsch
Huan-Xiang Zhou
Marcia O. Fenley
P304
P356
10.1021/JP013607Q
P407
P577
2002-03-01T00:00:00Z