Graphical Processing Unit accelerated Poisson equation solver and its application for calculation of single ion potential in ion-channels

DOI10.2478/MLBMB-2013-0008zbMath1280.35033OpenAlexW2086294195MaRDI QIDQ2863936

Maria G. Kurnikova, Nikolay A. Simakov

Publication date: 5 December 2013

Published in: Computational and Mathematical Biophysics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.2478/mlbmb-2013-0008

zbMATH Keywords

lysozymesolvation energy\(\alpha\)-hemolysinPoisson-Boltzmann equation solversingle ion potential

Mathematics Subject Classification ID

Laplace operator, Helmholtz equation (reduced wave equation), Poisson equation (35J05) Electro- and magnetostatics (78A30)

Uses Software

• CUDA
• MCCE2

Cites Work

• Accurate evaluation of electrostatics for macromolecules in solution
• Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes. I: Finite element solutions
• Theory of Solutions of Molecules Containing Widely Separated Charges with Special Application to Zwitterions

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