Effect of Microenvironment on the Geometrical Structure of d(A)5 d(T)5 and d(G)5 d(C)5 DNA Mini-Helixes and the Dickerson Dodecamer: A Density Functional Theory Study

We report a comprehensive quantum-chemical study on d­(A)5·d­(T)5 and d­(G)5·d­(C)5 DNA mini-helixes and the Dickerson dodecamer d­[CGCGAATTCGCG]. The research was performed to model the evolution of the spatial structure of d­(A)5·d­(T)5 and d­(G)5 d­(C)5 DNA mini-helixes all the way from vacuum to...

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Bibliographic Details
Published in:The journal of physical chemistry. B 2020-10, Vol.124 (42), p.9343-9353
Main Authors: Gorb, Leonid, Pekh, Anatolii, Nyporko, Alexey, Ilchenko, Mykola, Golius, Anastasiia, Zubatiuk, Tetiana, Zubatyuk, Roman, Dubey, Igor, Hovorun, Dmytro M, Leszczynski, Jerzy
Format: Article
Language:English
Subjects:
B: Biophysics
Physical Chemistry of Biological Systems and Biomolecules
Density Functional Theory
DNA
evolution
geometry
Hydrogen Bonding
Models, Molecular
Nucleic Acid Conformation
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