``New-version-fast-multipole-method accelerated electrostatic calculations in biomolecular sys\-tems
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Publication:2458566
DOI10.1016/J.JCP.2007.05.026zbMath1121.92007DBLPjournals/jcphy/LuCM07OpenAlexW2017717418WikidataQ30493192 ScholiaQ30493192MaRDI QIDQ2458566
Xiaolin Cheng, J. Andrew McCammon, Benzhuo Lu
Publication date: 1 November 2007
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.jcp.2007.05.026
Numerical methods for integral equations (65R20) Biochemistry, molecular biology (92C40) Biophysics (92C05)
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Uses Software
Cites Work
- Unnamed Item
- Unnamed Item
- A boundary element formulation of protein electrostatics with explicit ions
- A new version of the fast multipole method for screened Coulomb interactions in three dimensions
- Solution of acoustic scattering problems by means of second kind integral equations
- The electric potential of a macromolecule in a solvent: A fundamental approach
- A fast adaptive multipole algorithm for calculating screened Coulomb (Yukawa) interactions
- A fast algorithm for three-dimensional potential fields calculation: fast Fourier transform on multipoles.
- The parallel iterative methods (PIM) package for the solution of systems of linear equations on parallel computers
- Boundary‐element solution of some structural‐acoustic coupling problems using the multiple reciprocity method
- On the Theory of Strong Electrolyte Solutions
- A fast algorithm for three‐dimensional electrostatics analysis: fast Fourier transform on multipoles (FFTM)
- A fast algorithm for particle simulations
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