Structural properties of small semiconductor-binding synthetic peptides.
We have performed exhaustive multicanonical Monte Carlo simulations of three 12-residue synthetic peptides in order to investigate the thermodynamic and structural properties as well as the characteristic helix-coil transitions. In these studies, we employ a realistic model where the interactions between all atoms are taken into account. Effects of solvation are also simulated by using an implicit-solvent model.
Gökoğlu
Gökhan
G
Institut für Theoretische Physik, Universität Leipzig, Augustusplatz 10/11, D-04109 Leipzig, Germany. ggokoglu@hacettepe.edu.tr
Bachmann
Michael
M
Celik
Tarik
T
Janke
Wolfhard
W