Regensburg 2013 – scientific programme

Parts | Days | Selection | Search | Updates | Downloads | Help

BP: Fachverband Biologische Physik

BP 8: Posters: Proteins

BP 8.2: Poster

Monday, March 11, 2013, 17:30–19:30, Poster B2

Peptide interactions with metal surfaces — •Isidro Lorenzo¹, Hendrik Heinz², and Marialore Sulpizi¹ — ¹Johannes Gutenberg University Mainz, Staudinger Weg 7 55099 Mainz — ²Departament of Polymer Engineering, University of Akron, Ohio 44325

Understanding and controlling protein-surface interactions is gaining increasing fundamental scientific interest, such as in medical, diagnostic and biotechnology applications.

In this work we want to provide a characterization of peptide / gold interactions at a molecular level in order to explain and interpret recent surface experiments [1].

Atomistic simulations have been performed with the GROMACS package using available force field parameters such as CHARMM27 using 12-6 Lennard-Jones potentials [2] force field. We have employed a recently developed force field which has been extensively tested in biomolecular-inorganic interactions [3]. This has permitted to identify the most favorable binding modes on the different surfaces. Both neutral and zwitterionic forms for each peptide are analyzed .

[1] Anne Vallee, Vincent Humblot, and Claire-Marie Pradier Acc. Chem. Res., 2010, 43 (10), pp 1297*1306

[2] Heinz H, Vaia RA, Farmer BL, Naik RR J. Phys. Chem. C 2008, 112, 17281 17290

[3] Heinz H, Farmer BL, Pandey RB, Slocik JM, Patnaik SS, Pachter R, Naik RR. J. Am. Chem. Soc. 2009, 131, 9704-9714