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Issue 6, 2003
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Theoretical methods for the simulation of nucleic acids

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Abstract

Different theoretical methods for the description of nucleic acid structures are reviewed. Firstly, we introduce the concept of classical force-field in the context of nucleic acid structures, discussing their accuracy. We then examine theoretical approaches to the description of nucleic acids based on: i) a rigid or quasi-rigid description of the molecule, ii) molecular mechanics optimization, and iii) molecular dynamics. Special emphasis is made ion current state of the art molecular dynamics simulations of nucleic acids structures.

Graphical abstract: Theoretical methods for the simulation of nucleic acids

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Publication details

The article was received on 25 Feb 2003 and first published on 11 Jul 2003


Article type: Introductory Reviews
DOI: 10.1039/B207226M
Citation: Chem. Soc. Rev., 2003,32, 350-364
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    Theoretical methods for the simulation of nucleic acids

    M. Orozco, A. Pérez, A. Noy and F. J. Luque, Chem. Soc. Rev., 2003, 32, 350
    DOI: 10.1039/B207226M

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