A Combined MPI-CUDA Parallel Solution of Linear and Nonlinear Poisson-Boltzmann Equation

A Combined MPI-CUDA Parallel Solution of Linear and Nonlinear Poisson-Boltzmann Equation

The Poisson-Boltzmann equation models the electrostatic potential generated by fixed charges on a polarizable solute immersed in an ionic solution. This approach is often used in computational structural biology to estimate the electrostatic energetic component of the assembly of molecular biologica...

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Bibliographic Details
Main Authors:	José Colmenares, Antonella Galizia, Jesús Ortiz, Andrea Clematis, Walter Rocchia
Format:	Article
Language:	English
Published:	Hindawi Limited 2014-01-01
Series:	BioMed Research International
Online Access:	http://dx.doi.org/10.1155/2014/560987

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