Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structures

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Authors	ŠPONER Jiří CANG Xiaohui CHEATHAM Thomas E
Year of publication	2012
Type	Article in Periodical
Magazine / Source	Methods
MU Faculty or unit	Central European Institute of Technology
Citation
web	http://www.sciencedirect.com/science/article/pii/S1046202312000941
Doi	https://doi.org/10.1016/j.ymeth.2012.04.005
Field	Biophysics
Keywords	Molecular dynamics simulations; Guanine quadruplex; DNA ligand binding; Force field limitations; Force field development
Attached files	Methods.pdf
Description	The article reviews the application of biomolecular simulation methods to understand the structure, dynamics and interactions of nucleic acids with a focus on explicit solvent molecular dynamics simulations of guanine quadruplex (G-DNA and G-RNA) molecules. While primarily dealing with these exciting and highly relevant four-stranded systems, where recent and past simulations have provided several interesting results and novel insight into G-DNA structure, the review provides some general perspectives on the applicability of the simulation techniques to nucleic acids. (C) 2012 Elsevier Inc. All rights reserved.
Related projects:	CEITEC - Central European Institute of Technology