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Real-Time Atomistic Description of DNA Unfolding


  • We are indebted to Prof. Luque for helpful comments. This work was supported by the Spanish Ministry of Science (BIO2009-10964, Combiomed ISCIII, Consolider E-Science) and Fundacion Marcelino Botín.


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An unfolding story: Simulations exceeding the microsecond timescale and the introduction of a co-solvent were used to characterize the pathways of the unfolding of a short DNA duplex. Two main pathways are detected involving different substrates. Once unfolding is reached the DNA adopts compact structures different from a random-coil distribution (see picture).

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