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-freque...

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Bibliographic Details
Main Authors: Leong, Hon-Wai (Author), Chew, Lock Yue (Author), Huang, Kerson (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Physics (Contributor)
Format: Article
Language:English
Published: American Physical Society, 2011-01-14T17:04:34Z.
Subjects:
Online Access:Get fulltext
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100 1 0 |a Leong, Hon-Wai  |e author 
100 1 0 |a Massachusetts Institute of Technology. Department of Physics  |e contributor 
100 1 0 |a Huang, Kerson  |e contributor 
100 1 0 |a Huang, Kerson  |e contributor 
700 1 0 |a Chew, Lock Yue  |e author 
700 1 0 |a Huang, Kerson  |e author 
245 0 0 |a Normal modes and phase transition of the protein chain based on the Hamiltonian formalism 
260 |b American Physical Society,   |c 2011-01-14T17:04:34Z. 
856 |z Get fulltext  |u http://hdl.handle.net/1721.1/60573 
520 |a 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. In addition, we obtain the free-energy relations of the α helix, the β sheet, and the random coil of a 15-residue polyalanine. Interestingly, our results predict a phase transition from an α helix to a β sheet at a critical temperature. 
546 |a en_US 
655 7 |a Article 
773 |t Physical Review Letters