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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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Article information


Submitted
25 Feb 2003
First published
11 Jul 2003

Chem. Soc. Rev., 2003,32, 350-364
Article type
Introductory Reviews

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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