Dresden 2006 – wissenschaftliches Programm
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AKB: Biologische Physik
AKB 40: Poster Session II
AKB 40.4: Poster
Mittwoch, 29. März 2006, 16:30–19:30, P3
Conformational properties of semiconductor-binding synthetic peptides — •Gökhan Gökoglu1,2, Michael Bachmann1, Tarik Çelik2, and Wolfhard Janke1 — 1Institut für Theoretische Physik, Universität Leipzig, Germany — 2Fizik Mühendisliği Bölümü, Hacettepe Üniversitesi Ankara, Turkey
We investigate thermodynamic properties of three 12-residue synthetic peptides with generalized-ensemble Monte Carlo simulations [1]. In recent experiments [2,3] it was found that these peptides, although similar in their amino acid content, adsorb with noticeably different strength to a GaAs (100) surface. In our study, we analyze the differences of the characteristic helix-coil transitions observed in our simulations employing an all-atom model based on the ECEPP/2 force field in vacuum and implicit solvent. Here we primarily focus on the folding channels as seen in the free-energy landscape, where the free energy is expressed as a function of a suitably defined overlap parameter [4].
[1] G. Gökoğlu, M. Bachmann, T. Çelik, W. Janke, to be published.
[2] S. R. Whaley, D. S. English, E. L. Hu, P. F. Barbara, A. M. Belcher, Nature 405, 665 (2000).
[3] K. Goede, P. Busch, M. Grundmann, Nano Lett. 4, 2115 (2004).
[4] U. H. E. Hansmann, M. Masuya, Y. Okamoto, Proc. Natl. Acad. Sci. USA 94, 10652 (1997).