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A Natural Coarse Graining for Simulating Large Biomolecular Motion

Various coarse graining schemes have been proposed to speed up computer simulations of the motion within large biomolecules, which can contain hundreds of thousands of atoms. We point out here that there is a very natural way of doing this, using the rigid regions identified within a biomolecule as...

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Detalhes bibliográficos
Main Authors: Gohlke, Holger, Thorpe, M. F.
Formato: Artigo
Idioma:Inglês
Publicado em: Biophysical Society 2006
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1557556/
https://ncbi.nlm.nih.gov/pubmed/16815893
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.083568
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