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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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Bibliografiska uppgifter
Huvudupphovsmän: Gohlke, Holger, Thorpe, M. F.
Materialtyp: Artigo
Språk:Inglês
Publicerad: Biophysical Society 2006
Ämnen:
Länkar: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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