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Relative stability of different DNA guanine quadruplex stem topologies derived using large-scale quantum-chemical computations

We provide theoretical predictions of the intrinsic stability of different arrangements of guanine quadruplex (G-DNA) stems. Most computational studies of nucleic acids have applied Molecular Mechanics (MM) approaches using simple pairwise-additive force fields. The principle limitation of such calc...

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Autori principali: Šponer, Jiří, Mládek, Arnošt, Špačková, Nad’a, Cang, Xiaohui, Cheatham, Thomas E., Grimme, Stefan
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2013
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3775466/
https://ncbi.nlm.nih.gov/pubmed/23742743
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja402525c
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