Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2007-10-24
Phys. Rev. E 74, 041802(1-10) (2006)
Physics
Condensed Matter
Soft Condensed Matter
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.
Bachmann Michael
Çelik Tar\ik
Gokoglu Gökhan
Janke Wolfhard
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