Searching low-energy conformations of two elastin sequences
Department of Physics, Hacettepe University, Beytepe 06532,
Corresponding author: a email@example.com
Revised: 12 December 2003
Published online: 15 March 2004
The three-dimensional structures of two common repeat motifs Val1-Pro2-Gly3-Val4-Gly5 and Val1-Gly2-Val3-Pro4-Gly5-Val6-Gly7-Val8-Pro9 of tropoelastin are investigated by using the multicanonical simulation procedure. By minimizing the energy structures along the trajectory the thermodynamically most stable low-energy microstates of the molecule are determined. The structural predictions are in good agreement with X-ray diffraction experiments.
PACS: 02.70.Lq – 02.70.Lq Monte Carlo and statistical methods / 05.50.+q – Lattice theory and statistics (Ising, Potts, etc.) / 82.20.Wt – Computational modeling; simulation
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2004