ŠPONER, Jiří, Xiaohui CANG and Thomas E CHEATHAM. Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structures. Methods. SAN DIEGO: ACADEMIC PRESS INC ELSEVIER SCIENCE, 2012, vol. 57, No 1, p. 25-39. ISSN 1046-2023. doi:10.1016/j.ymeth.2012.04.005.
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Basic information
Original name Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structures
Authors ŠPONER, Jiří (203 Czech Republic, guarantor, belonging to the institution), Xiaohui CANG (156 China) and Thomas E CHEATHAM (840 United States of America).
Edition Methods, SAN DIEGO, ACADEMIC PRESS INC ELSEVIER SCIENCE, 2012, 1046-2023.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10610 Biophysics
Country of publisher United States of America
Confidentiality degree is not subject to a state or trade secret
WWW URL
Impact factor Impact factor: 3.641
RIV identification code RIV/00216224:14740/12:00062165
Organization unit Central European Institute of Technology
Doi http://dx.doi.org/10.1016/j.ymeth.2012.04.005
UT WoS 000307912100004
Keywords in English Molecular dynamics simulations; Guanine quadruplex; DNA ligand binding; Force field limitations; Force field development
Tags ok, rivok
Tags International impact, Reviewed
Changed by Changed by: Olga Křížová, učo 56639. Changed: 6. 4. 2013 06:21.
Abstract
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.
Links
ED1.1.00/02.0068, research and development projectName: CEITEC - central european institute of technology
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