Hamiltonian Dynamics of the Protein Chain and Normal Modes of Alpha-Helix and Beta-Sheet

Hon-Wai Leong; Lock-Yue Chew; Kerson Huang

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arXiv · 0809.1937

Hamiltonian Dynamics of the Protein Chain and Normal Modes of Alpha-Helix and Beta-Sheet

Hon-Wai Leong·Lock-Yue Chew·Kerson Huang

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Abstract

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 alpha-helix and the beta-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 alpha-helix and the beta-sheet at a critical temperature.

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Hon-Wai Leong, Lock-Yue Chew, Kerson Huang. 2008-09-11. Hamiltonian Dynamics of the Protein Chain and Normal Modes of Alpha-Helix and Beta-Sheet. https://arxiv.org/abs/0809.1937

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