Study of Proteins and Peptides at Interfaces by Molecular Dynamics Simulation Techniques

Abstract

This chapter discusses the study of the interaction of peptides and proteins at interfaces using molecular dynamics (MD) simulation techniques. First, the chapter discusses how computational methods, in particular MD simulation techniques, complement experimental methods. Then it focuses on three main areas of research: the interaction of peptides and proteins with (i) biological membranes and lipid bilayers, (ii) airâwater and oilâwater interfaces, and (iii) organic and inorganic sorbents.