A new boundary integral equation for molecular electrostatics with charges over whole space

DOI10.1007/S10543-011-0329-1zbMATH Open1255.78011OpenAlexW2042762259MaRDI QIDQ657897FDOQ657897

Authors: Dexuan Xie, L. Ridgway Scott 

Publication date: 10 January 2012

Published in: BIT (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10543-011-0329-1

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zbMATH Keywords

Poisson equationFredholm integral equationdielectric continuum modelmolecular electrostatics

Mathematics Subject Classification ID

Numerical methods for integral equations (65R20) Electro- and magnetostatics (78A30) General biology and biomathematics (92B05)

Cites Work

• Title not available (Why is that?)
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• Linear integral equations.
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• Continuum electrostatics for ionic solutions with non-uniform ionic sizes
• A new minimization protocol for solving nonlinear Poisson-Boltzmann mortar finite element equation
• The electric potential of a macromolecule in a solvent: A fundamental approach
• ``New-version-fast-multipole-method accelerated electrostatic calculations in biomolecular sys\-tems
• Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: high-order image approximations for reaction fields
• An Analysis of Quadrature Errors in Second-Kind Boundary Integral Methods
• High-order quadratures for integral operators with singular kernels

Cited In (4)

• The calculus of boundary variations and the dielectric boundary force in the Poisson-Boltzmann theory for molecular solvation
• A Boundary Integral Formulation for Nonlocal Electrostatics
• A rapid boundary integral equation technique for protein electrostatics
• Accurate evaluation of electrostatics for macromolecules in solution

Uses Software

• APBS
• CHARMM
• PBEQ-Solver

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