Affiliation:
1. Department of Physics Engineering, Hacettepe University, Ankara, Turkey
Abstract
Conformational structures of two common repeat motifs Val1-Pro2-Gly3-Val4-Gly5 and Gly1-Leu2-Gly3-Gly4 of tropoelastin are investigated by using the multicanonical simulation procedure with solvation effects included energy force field. The effects of solvation energy term on the conformations are determined by analyzing Ramachandran plots. By minimizing the energy structures along the trajectory, the thermodynamically most stable low-energy microstates of the molecule in aqueous solution are determined and the root mean square deviations of these structures with respect to the global minimum are calculated.
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