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Multi-dimensional characterization of electrostatic surface potential computation on graphics processors

BACKGROUND: Calculating the electrostatic surface potential (ESP) of a biomolecule is critical towards understanding biomolecular function. Because of its quadratic computational complexity (as a function of the number of atoms in a molecule), there have been continual efforts to reduce its complexi...

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Detalles Bibliográficos
Autores principales: Daga, Mayank, Feng, Wu-chun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3358664/
https://www.ncbi.nlm.nih.gov/pubmed/22537008
http://dx.doi.org/10.1186/1471-2105-13-S5-S4