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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...
Autores principales: | Daga, Mayank, Feng, Wu-chun |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2012
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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 |
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