AVS 53rd International Symposium
    Applied Surface Science Thursday Sessions
       Session AS-ThP

Paper AS-ThP4
Conformational Susceptibilities of Peptides at Interfaces

Thursday, November 16, 2006, 5:30 pm, Room 3rd Floor Lobby

Session: Aspects of Applied Surface Science Poster Session
Presenter: W.K. Browne, University of California at Berkeley
Authors: W.K. Browne, University of California at Berkeley
R.L. York, University of California at Berkeley
O. Mermut, University of California at Berkeley
P.L. Geissler, University of California at Berkeley
G.A. Somorjai, University of California at Berkeley
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We have used a combination of surface-specific experimental techniques and molecular simulations to examine the adsorption of short chain polypeptides at hydrophilic and hydrophobic interfaces. Sum frequency generation (SFG), a non linear optical spectroscopy, in concert with Monte Carlo simulations provide insight into the effect of adsorption on polypeptide conformation. Since hydrophobic phenomena are known to have a large effect on any peptide system, our simulations include an explicit coarse-grained solvent. Particularly, the structural features of poly-lysine at the hydrophobic and hydrophilic interface have been examined. In addition, key forces in the adsorptive behavior of poly-lysine are isolated. Using the data from computer simulations and SFG spectra, the structural characteristics of short chain polypeptides at hydrophilic and hydrophobic interfaces will be presented.