DNA denaturation bubbles: free-energy landscape and nucleation/closure rates.
@article{Sicard2015DNADB, title={DNA denaturation bubbles: free-energy landscape and nucleation/closure rates.}, author={François Sicard and N. Destainville and M. Manghi}, journal={The Journal of chemical physics}, year={2015}, volume={142 3}, pages={ 034903 } }
The issue of the nucleation and slow closure mechanisms of non-superhelical stress-induced denaturation bubbles in DNA is tackled using coarse-grained MetaDynamics and Brownian simulations. A minimal mesoscopic model is used where the double helix is made of two interacting bead-spring rotating strands with a prescribed torsional modulus in the duplex state. We demonstrate that timescales for the nucleation (respectively, closure) of an approximately 10 base-pair bubble, in agreement with… CONTINUE READING
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