Structural Properties of Small Semiconductor-Binding Synthetic Peptides

Physics – Condensed Matter – Soft Condensed Matter

Scientific paper

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23 pages, 13 figures

Scientific paper

10.1103/PhysRevE.74.041802

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.

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