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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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Bibliographic Details
Main Authors: McDonald, Ashley Ringer, Denning, Elizabeth J., MacKerell, Alexander D.
Format: Artigo
Language:Inglês
Published: 2013
Subjects:
Online Access: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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