AFMPB: an adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems

DOI10.1016/J.CPC.2013.05.012MaRDI QIDQ5891015zbMATH OpenOpenAlexFDO

Authors Benzhuo Lu, Xiaolin Cheng, Jingfang Huang, J. Andrew McCammon

Publication date 11 November 2016

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2013.05.012

zbMATH Keywords

Krylov subspace methodsboundary integral equationPoisson-Boltzmann equationfast multipole methodsdiagonal translationsnode-patch method

Mathematics Subject Classification ID

Electro- and magnetostatics (78A30) Biological applications of optics and electromagnetic theory (78A70) Multipole methods applied to problems in optics and electromagnetic theory (78M16) Software, source code, etc. for problems pertaining to optics and electromagnetic theory (78-04)

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Cited in

(7)

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• Mathematical and numerical aspects of the adaptive fast multipole Poisson-Boltzmann solver
• scientific article; zbMATH DE number 2009824 (Why is no real title available?)
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• Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy
• DelPhi web server: A comprehensive online suite for electrostatic calculations of biological macromolecules and their complexes
• Parallel realization of the numerical solution of the Poisson-Boltzmann equation

Describes a project that uses

Uses Software

• AFMPB

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