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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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Autors principals: Daga, Mayank, Feng, Wu-chun
Format: Artigo
Idioma:Inglês
Publicat: BioMed Central 2012
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3358664/
https://ncbi.nlm.nih.gov/pubmed/22537008
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-13-S5-S4
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