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B-DNA Under Stress: Over- and Untwisting of DNA during Molecular Dynamics Simulations

The twist flexibility of DNA is central to its many biological functions. Explicit solvent molecular dynamics simulations in combination with an umbrella sampling restraining potential have been employed to study induced twist deformations in DNA. Simulations allowed us to extract free energy profil...

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Autors principals: Kannan, Srinivasaraghavan, Kohlhoff, Kai, Zacharias, Martin
Format: Artigo
Idioma:Inglês
Publicat: Biophysical Society 2006
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC1578486/
https://ncbi.nlm.nih.gov/pubmed/16861282
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.087163
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