Role of sugar re-puckering in the transition of A and B forms of DNA in solution. A molecular dynamics study.
State of the art molecular dynamic simulations show that simple modification of the sugar puckering of 2'deoxyriboses leads to a reversible change between two stable forms of DNA which resemble very closely the canonical A and B duplex forms. Analysis of the A-type and B-type structures reveals interesting, and previously unknown features of these two families of conformations of the DNA.
Soliva
R
R
Departament de Bioquímica i Biologia Molecular, Facultat de Química, Universitat de Barcelona, Spain.
Luque
F J
FJ
Alhambra
C
C
Orozco
M
M
D002241:Carbohydrates / Q000737:chemistry*; D003198:Computer Simulation; D004247:DNA / Q000737:chemistry*; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D012996:Solutions
D002241:Carbohydrates; D012996:Solutions; D004247:DNA