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Title of article :
Proline-induced kink in a helix arises primarily from dihedral angle energy: a molecular dynamics simulation on alamethicin
Author/Authors :
Cheng، نويسنده , , Shu-Fang and Chang، نويسنده , , Ding-Kwo، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1999
Pages :
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Abstract :
To investigate the cause of the kink in a helix induced by proline, a restrained molecular dynamics simulation was performed on alamethicin (Alm), a channel-forming peptide. Results on the linear and kinked helices indicated that the kinked form has lower energy than the linear one and the difference can be attributed largely to the dihedral angle term. The argument is strengthened by calculated results on the peptide in which proline 14 was substituted by alanine. The kinked and linear forms had virtually the same total and dihedral angle energies for the alanine analog. Possible implications for Alm voltage-gating are discussed.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters
Serial Year :
Link To Document :