A boundary element formulation of protein electrostatics with explicit ions
DOI10.1016/J.JCP.2006.09.011zbMATH Open1115.92007OpenAlexW2065885143MaRDI QIDQ876460FDOQ876460
Authors: Weidong Xin, André H. Juffer 
Publication date: 18 April 2007
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.jcp.2006.09.011
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electrostaticsboundary element methodcomputer simulationpotential of mean forceproteincoarse-grained modelexplicit ionsionic strength
Biochemistry, molecular biology (92C40) Biological applications of optics and electromagnetic theory (78A70) Boundary element methods for boundary value problems involving PDEs (65N38) Biophysics (92C05)
Cites Work
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- Numerical recipes in C++. The art of scientific computing
- The electric potential of a macromolecule in a solvent: A fundamental approach
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- Angular Monte Carlo integration using quaternion parameters: A spherical reference potential for \(CC|_ 4\)
- The Extent of Anisotropic Interactions Between Protein Molecules in Electrolyte Solutions
- A simulation method of combinding boundary element method with generalized Langevin dynamics
Cited In (13)
- Dielectric properties of proteins from simulations: Tools and techniques
- A super-Gaussian Poisson-Boltzmann model for electrostatic free energy calculation: smooth dielectric distribution for protein cavities and in both water and vacuum states
- A novel approach to computer simulations of protein-protein complex formation
- ISIM: A Program for Grand Canonical Monte Carlo Simulations of the Ionic Environment of Biomolecules
- Salt dependent association of novel mutants of TATA-binding proteins to DNA: predictions from theory and experiments
- Efficient Algorithms for a Nonlocal Dielectric Model for Protein in Ionic Solvent
- A Boundary Integral Formulation for Nonlocal Electrostatics
- Multiscale models and approximation algorithms for protein electrostatics
- A rapid boundary integral equation technique for protein electrostatics
- A new boundary integral equation for molecular electrostatics with charges over whole space
- Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular binding
- Continuum electrostatics for ionic solutions with non-uniform ionic sizes
- ``New-version-fast-multipole-method accelerated electrostatic calculations in biomolecular sys\-tems
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