Nucleic acid base pair dynamics: the impact of sequence and structure using free-energy calculations

J Am Chem Soc. 2003 Apr 30;125(17):4998-9. doi: 10.1021/ja034095r.

Abstract

Molecular dynamics free-energy calculations of base pair opening within double helical DNA and RNA are used to explain why A-tracts (oligo-adenine repeats) greatly increase the lifetimes of AT base pairs, whereas the structural and the chemical changes involved in passing from B-DNA to A-RNA have comparatively small effects.

MeSH terms

  • Base Pairing*
  • DNA / chemistry*
  • Nucleic Acid Conformation
  • RNA / chemistry*
  • Structure-Activity Relationship
  • Thermodynamics

Substances

  • RNA
  • DNA