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An N log N approximation based on the natural organization of biomolecules for speeding up the computation of long range interactions

Presented here is a method, the hierarchical charge partitioning (HCP) approximation, for speeding up computation of pairwise electrostatic interactions in biomolecular systems. The approximation is based on multiple levels of natural partitioning of biomolecular structures into a hierarchical set o...

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Detalhes bibliográficos
Main Authors: Anandakrishnan, Ramu, Onufriev, Alexey V.
Formato: Artigo
Idioma:Inglês
Publicado em: 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2818067/
https://ncbi.nlm.nih.gov/pubmed/19569183
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21357
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