Nucleic acid base pair dynamics: the impact of sequence and structure using free-energy calculations.
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.
Giudice
Emmanuel
E
Laboratoire de Biochimie Théorique, CNRS UPR 9080, Institut de Biologie Physico-Chimique, 13 rue Pierre et Marie Curie, Paris 75005, France.
Lavery
Richard
R
D020029:Base Pairing; D004247:DNA / Q000737:chemistry*; D009690:Nucleic Acid Conformation; D012313:RNA / Q000737:chemistry*; D013329:Structure-Activity Relationship; D013816:Thermodynamics
D012313:RNA; D004247:DNA