Hamiltonian Dynamics of the Protein Chain and Normal Modes of α-Helix and β-Sheet
نویسندگان
چکیده
We use the torsional angles of the protein chain as generalized coordinates in the canonical formalism, derive canonical equations of motion, and investigate the coordinate dependence of the kinetic energy expressed in terms of the canonical momenta. We use the formalism to compute the normal-frequency distributions of the α-helix and the β-sheet, under the assumption that they are stabilized purely through hydrogen bonding. Comparison of their free energies show the existence of a phase transition between the α-helix and the β-sheet at a critical temperature.
منابع مشابه
Normal modes and phase transition of the protein chain based on the Hamiltonian formalism.
We use the torsional angles of the protein chain as generalized coordinates in the canonical formalism, derive canonical equations of motion, and investigate the coordinate dependence of the kinetic energy expressed in terms of the canonical momenta. We use the formalism to compute the normal-frequency distributions of the α helix and the β sheet, under the assumption that they are stabilized p...
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