Computer Simulation of Antimicrobial Peptides

Title: Computer Simulation of Antimicrobial Peptides

Volume: 14 Issue: 26

Author(s): Edit Matyus, Christian Kandt and D. Peter Tieleman

Affiliation:

Keywords: Antimicrobial peptides, molecular dynamics simulation, lipid bilayers, micelle, drug design

Abstract: Naturally occurring and synthetic peptides may be a novel class of clinically useful antibiotics. A large body of experimental data on structure function relationships for such peptides is available, but the molecular mechanism of their action remains elusive in most cases. Computer simulations can give detailed insights into the interactions between peptides and lipid bilayers, at least one crucial step in the antimicrobial mechanism. Here we review recent simulations of antimicrobial peptides and discuss potential future contributions of computer simulations in understanding and ultimately designing antimicrobial peptides.

Cite this article as:

Matyus Edit, Kandt Christian and Tieleman Peter D., Computer Simulation of Antimicrobial Peptides, Current Medicinal Chemistry 2007; 14 (26) . https://dx.doi.org/10.2174/092986707782360105