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Long range Debye-Hückel correction for computation of grid-based electrostatic forces between biomacromolecules
BACKGROUND: Brownian dynamics (BD) simulations can be used to study very large molecular systems, such as models of the intracellular environment, using atomic-detail structures. Such simulations require strategies to contain the computational costs, especially for the computation of interaction for...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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BioMed Central
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4082500/ https://www.ncbi.nlm.nih.gov/pubmed/25045516 http://dx.doi.org/10.1186/2046-1682-7-4 |