Structural properties of small semiconductor-binding synthetic peptides

Phys Rev E Stat Nonlin Soft Matter Phys. 2006 Oct;74(4 Pt 1):041802. doi: 10.1103/PhysRevE.74.041802. Epub 2006 Oct 5.

Abstract

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.