ALPHA-HELIX FORMATION IN C-PEPTIDE RNASE-A INVESTIGATED BY PARALLEL TEMPERING SIMULATIONS-Reference-Cited by-同舟云学术

ALPHA-HELIX FORMATION IN C-PEPTIDE RNASE-A INVESTIGATED BY PARALLEL TEMPERING SIMULATIONS

Published:2007-01 Issue:01 Volume:18 Page:91-98
ISSN:0129-1831
Container-title:International Journal of Modern Physics C
language:en
Short-container-title:Int. J. Mod. Phys. C

Author:

GÖKOĞLU GÖKHAN¹,ÇELİK TARIK²

Affiliation:

1. Department of Physics Engineering, Hacettepe University, 06800 Beytepe, Ankara, Turkey

2. Turkish Academy of Sciences, Piyade Sokak No. 27, 06550 Çankaya, Ankara, Turkey

Abstract

We have performed parallel tempering simulations of a 13-residue peptide fragment of ribonuclease-A, c-peptide, in implicit solvent with constant dielectric permittivity. This peptide has a strong tendency to form α-helical conformations in solvent as suggested by circular dichroism (CD) and nuclear magnetic resonance (NMR) experiments. Our results demonstrate that 5th and 8–12 residues are in the α-helical region of the Ramachandran map for global minimum energy state in solvent environment. Effects of salt bridge formation on stability of α-helix structure are discussed.

Publisher

World Scientific Pub Co Pte Lt

Subject

Computational Theory and Mathematics,Computer Science Applications,General Physics and Astronomy,Mathematical Physics,Statistical and Nonlinear Physics

Link

https://www.worldscientific.com/doi/pdf/10.1142/S0129183107010292

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