Molecular dynamics simulations of nucleic acid-protein complexes

Curr Opin Struct Biol. 2008 Apr;18(2):194-9. doi: 10.1016/j.sbi.2007.12.012. Epub 2008 Feb 20.

Abstract

Molecular dynamics simulation studies of protein-nucleic acid complexes are more complicated than studies of either component alone-the force field has to be properly balanced, the systems tend to become very large, and a careful treatment of solvent and of electrostatic interactions is necessary. Recent investigations into several protein-DNA and protein-RNA systems have shown the feasibility of the simulation approach, yielding results of biological interest not readily accessible to experimental methods.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Computer Simulation*
  • Models, Molecular*
  • Molecular Conformation
  • Nucleic Acids / chemistry*
  • Nucleic Acids / metabolism*
  • Protein Binding
  • Proteins / chemistry*
  • Proteins / metabolism*

Substances

  • Nucleic Acids
  • Proteins