Discrete breathers in a realistic coarse-grained model of proteins

  title={Discrete breathers in a realistic coarse-grained model of proteins},
  author={Stefano Luccioli and Alberto Imparato and Stefano Lepri and Francesco Piazza and Alessandro Torcini},
  journal={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 (DBs), emerge naturally as continuations of a subset of high-frequency normal modes residing at specific sites dictated by the native fold. DBs are time-periodic, space-localized vibrational modes that exist generically in nonlinear discrete systems and are known for their resilience… 
15 Citations

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