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

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.

SUBMITTER: Sponer J

PROVIDER: S-EPMC3775459 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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

Sponer Jiří J Cang Xiaohui X Cheatham Thomas E TE

Methods (San Diego, Calif.) 20120416 1

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 perspe ...[more]

PMID: 22525788

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