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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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Detalles Bibliográficos
Main Authors: Gohlke, Holger, Thorpe, M. F.
Formato: Artigo
Idioma:Inglês
Publicado: Biophysical Society 2006
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Acceso en liña: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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