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Current Medicinal Chemistry

Editor-in-Chief

ISSN (Print): 0929-8673
ISSN (Online): 1875-533X

Computer Simulation of Antimicrobial Peptides

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

Volume 14 , Issue 26 , 2007

Page: [2789 - 2798] Pages: 10

DOI: 10.2174/092986707782360105

Price: $65

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.

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


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