Theoretical methods for the simulation of nucleic acids.
| Title | Theoretical methods for the simulation of nucleic acids. |
| Publication Type | Journal Article |
| Year of Publication | 2003 |
| Authors | Orozco, Modesto, Pérez Alberto, Noy Agnes, and F Luque Javier |
| Journal | Chem Soc Rev |
| Volume | 32 |
| Pagination | 350-64 |
| Date Published | 2003 Nov |
| ISSN | 0306-0012 |
| Keywords | Base Sequence, Chemical, Computer Simulation, Models, Molecular, Nucleic Acid Conformation, Nucleic Acids, 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. |