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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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Détails bibliographiques
Auteurs principaux: Colmenares, José, Galizia, Antonella, Ortiz, Jesús, Clematis, Andrea, Rocchia, Walter
Format: Artigo
Langue:Inglês
Publié: Hindawi Publishing Corporation 2014
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC4074970/
https://ncbi.nlm.nih.gov/pubmed/25013789
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1155/2014/560987
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