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Discrete breathers in a realistic coarse-grained model of proteins
2011
Physical Biology
We report the results of molecular dynamics simulations of an off-lattice protein model featuring a physical force-field and amino-acid sequence. We show that localized modes of nonlinear origin (discrete breathers) emerge naturally as continuations of a subset of high-frequency normal modes residing at specific sites dictated by the native fold. In the case of the small β-barrel structure that we consider, localization occurs on the turns connecting the strands. At high energies, discrete
doi:10.1088/1478-3975/8/4/046008
pmid:21670494
fatcat:moblbkakgvcltcqrpimqacitja