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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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| Main Authors: | , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American
Chemical Society
2014
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| Online adgang: | 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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