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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...
Autores principales: | Colmenares, José, Galizia, Antonella, Ortiz, Jesús, Clematis, Andrea, Rocchia, Walter |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Hindawi Publishing Corporation
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4074970/ https://www.ncbi.nlm.nih.gov/pubmed/25013789 http://dx.doi.org/10.1155/2014/560987 |
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