| Abstract: | 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.Received: 12 December 2003, Published online: 15 March 2004PACS: 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 |
