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BP: Fachverband Biologische Physik

BP 5: Proteins

BP 5.3: Vortrag

Montag, 23. März 2009, 15:00–15:15, ZEU 260

influence of external electrical fields on the protein folding process — •Ojeda May Pedro and Garcia R. Martin E. — Heinrich-Plett- Strasse 39, 34132 Kassel

We show that an external electric field can be used to modify the folding path of the peptide V3-loop, Protein Data Bank ID 1NJ0. We employ a force field which includes explicitly the dipole-dipole interactions as an Ising-term [PRL 96, 078103, 2006]. The external electric field interacts with the dipoles. The density of states (DOS) employed to calculate the thermodynamical properties, is obtained by means of a re-weighted histogram method. In the absence of the field the dipoles can be oriented in any direction and the total free energy is minimized by a β-sheet. On the other hand, in the presence of the field an easy direction is created and the dipoles tend to be parallel to the field giving rise to a helix structure.