期刊
METHODS
卷 57, 期 1, 页码 25-39出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.ymeth.2012.04.005
关键词
Molecular dynamics simulations; Guanine quadruplex; DNA ligand binding; Force field limitations; Force field development
资金
- Grant Agency of the Czech Republic [P208/11/1822]
- CEITEC - Central European Institute of Technology from European Regional Development Fund [CZ.1.05/1.1.00/02.0068]
- NIH [R01-GM081411]
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.
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