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Impact of Geometry Optimization on Base-Base Stacking Interaction Energies in the Canonical A- and B-forms of DNA

Base stacking is known to make an important contribution to the stability of DNA and RNA and, accordingly, significant efforts are ongoing to calculate stacking energies using ab initio quantum mechanical methods. To date, impressive improvements have been made in the model chemistries used to perfo...

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Autors principals: McDonald, Ashley Ringer, Denning, Elizabeth J., MacKerell, Alexander D.
Format: Artigo
Idioma:Inglês
Publicat: 2013
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3579007/
https://ncbi.nlm.nih.gov/pubmed/23343365
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp308364d
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