Improvement of DNA and RNA Sugar Pucker Profiles from Semiempirical Quantum Methods

[Image: see text] Neglect of diatomic differential overlap (NDDO) and self-consistent density-functional tight-binding (SCC-DFTB) semiempirical models commonly employed in combined quantum mechanical/molecular mechanical simulations fail to adequately describe the deoxyribose and ribose sugar ring p...

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Bibliographic Details
Main Authors: Huang, Ming, Giese, Timothy J., Lee, Tai-Sung, York, Darrin M.
Format: Artigo
Language:Inglês
Published: American Chemical Society 2014
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC3985690/
https://ncbi.nlm.nih.gov/pubmed/24803866
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct401013s
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