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Can Conformational Change Be Described by Only a Few Normal Modes?

We suggest a simple method to assess how many normal modes are needed to map a conformational change. By projecting the conformational change onto a subspace of the normal-mode vectors and using root mean square deviation as a test of accuracy, we find that the first 20 modes only contribute 50% or...

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Detalhes bibliográficos
Main Authors: Petrone, Paula, Pande, Vijay S.
Formato: Artigo
Idioma:Inglês
Publicado em: Biophysical Society 2006
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1367309/
https://ncbi.nlm.nih.gov/pubmed/16361336
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.105.070045
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