Local cooperativity mechanism in the DNA melting transition.
We propose a statistical mechanics model for the melting transition of DNA. Base pairing and stacking are treated as separate degrees of freedom, and the interplay between pairing and stacking is described by a set of local rules which mimic the geometrical constraints in the real molecule. This microscopic mechanism intrinsically accounts for the cooperativity related to the free energy penalty of bubble nucleation. The model describes both the unpairing and unstacking parts of the spectroscopically determined experimental melting curves. Furthermore, the model explains the observed temperature dependence of the effective thermodynamic parameters used in models of the nearest neighbor type. We compute the partition function for the model through the transfer matrix formalism, which we also generalize to include nonlocal chain entropy terms.
Ivanov
Vassili
V
Department of Physics and Astronomy, University of California Los Angeles, 90095-1547, USA.
Piontkovski
Dmitri
D
Zocchi
Giovanni
G
D003198:Computer Simulation; D004247:DNA / Q000032:analysis / Q000737:chemistry*; D046911:Macromolecular Substances / Q000032:analysis / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D009691:Nucleic Acid Denaturation; D009711:Nucleotides / Q000032:analysis / Q000737:chemistry*; D044367:Phase Transition; D044366:Transition Temperature
D046911:Macromolecular Substances; D009711:Nucleotides; D004247:DNA