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

DOI10.1007/S10543-011-0329-1MaRDI QIDQ657897zbMATHOpenAlexFDO

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

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)

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Cites work

• scientific article; zbMATH DE number 5669486 (Why is no real title available?)
• scientific article; zbMATH DE number 1306464 (Why is no real title available?)
• scientific article; zbMATH DE number 1022519 (Why is no real title available?)
• scientific article; zbMATH DE number 1744773 (Why is no real title available?)
• A new minimization protocol for solving nonlinear Poisson-Boltzmann mortar finite element equation
• An Analysis of Quadrature Errors in Second-Kind Boundary Integral Methods
• Continuum electrostatics for ionic solutions with non-uniform ionic sizes
• Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: high-order image approximations for reaction fields
• High-order quadratures for integral operators with singular kernels
• Linear integral equations.
• The electric potential of a macromolecule in a solvent: A fundamental approach
• ``New-version-fast-multipole-method accelerated electrostatic calculations in biomolecular sys\-tems

Cited in

(7)

• Accurate evaluation of electrostatics for macromolecules in solution
• Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular binding
• A Boundary Integral Formulation for Nonlocal Electrostatics
• A rapid boundary integral equation technique for protein electrostatics
• Multiscale models and approximation algorithms for protein electrostatics
• The calculus of boundary variations and the dielectric boundary force in the Poisson-Boltzmann theory for molecular solvation
• An implicit boundary integral method for computing electric potential of macromolecules in solvent

Describes a project that uses

Uses Software

• APBS
• CHARMM
• PBEQ-Solver

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