Title | Theoretical methods for the simulation of nucleic acids |
Publication Type | Journal Article |
Year of Publication | 2003 |
Authors | Orozco, M, Perez A, Noy A, Luque FJ |
Journal | Chemical Society Reviews |
Volume | 32 |
Issue | 6 |
Pagination | 350 - 364 |
Date Published | 2003/11// |
Keywords | Base Sequence; Computer Simulation; Models, Chemical; Models, Molecular; Nucleic Acid Conformation; Nucleic Acids/chemistry; Thermodynamics |
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. |