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

• Autoři: ŠPONER Jiří; CANG Xiaohui; CHEATHAM Thomas E
• Rok publikování: 2012
• Druh: Článek v odborném periodiku
• Časopis / Zdroj: Methods
• Fakulta / Pracoviště MU: Středoevropský technologický institut
• www: http://www.sciencedirect.com/science/article/pii/S1046202312000941
• Doi: http://dx.doi.org/10.1016/j.ymeth.2012.04.005
• Obor: Biofyzika
• Klíčová slova: Molecular dynamics simulations; Guanine quadruplex; DNA ligand binding; Force field limitations; Force field development

Přiložené soubory

• Methods.pdf

• Popis: 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.

Související projekty

• CEITEC - středoevropský technologický institut