Discrete breathers in a realistic coarse-grained model of proteins

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چکیده

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Discrete breathers in a realistic coarse-grained model of proteins.

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 vib...

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ژورنال

عنوان ژورنال: Physical Biology

سال: 2011

ISSN: 1478-3975

DOI: 10.1088/1478-3975/8/4/046008