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- W2762583744 abstract "By treating DNA as a vibrating nonlinear lattice, an activated kinetic theory for DNA melting is developed to capture the breakage of the hydrogen bonds and subsequent softening of torsional and bending vibration modes. With a coarse-grained lattice model, we identify a key bending mode with GHz frequency that replaces the hydrogen vibration modes as the dominant out-of-phase phonon vibration at the transition state. By associating its bending modulus to a universal in-phase bending vibration modulus at equilibrium, we can hence estimate the entropic change in the out-of-phase vibration from near-equilibrium all-atom simulations. This and estimates of torsional and bending entropy changes lead to the first predictive and sequence-dependent theory with good quantitative agreement with experimental data for the activation energy of melting of short DNA molecules without intermediate hairpin structures." @default.
- W2762583744 created "2017-10-20" @default.
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- W2762583744 date "2017-10-04" @default.
- W2762583744 modified "2023-10-17" @default.
- W2762583744 title "Kinetic theory for DNA melting with vibrational entropy" @default.
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- W2762583744 doi "https://doi.org/10.1063/1.4996174" @default.
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