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Research Abstracts Online
January 2008 - March 2009

University of Minnesota Twin Cities
Institute of Technology
Department of Chemical Engineering and Materials Science

PI: Yiannis N. Kaznessis, Fellow

Computer Simulations of Antimicrobial Peptides

These researchers are continuing to carry out computer simulations to investigate peptide lipid interactions from a biophysical perspective. They implement large-scale molecular dynamics simulations of a large number of antimicrobial peptides with model lipid micelles that model bacterial and mammalian membranes. The trajectory data arising from these simulations is then systematically analyzed to develop structural bioinformatics tools in order to derive a cognitive quantitative structure activity relationship with predictive ability that will facilitate the rational design of peptide antimicrobials. Simulations from this research have resulted in a peptide design that is currently being tested at the Medical School at the University of California, Los Angeles.

Group Members

John Barrett, Graduate Student
Costas Billiouris, Graduate Student
Dan S. Bolintineanu, Graduate Student
Anushree Chatterjee, Graduate Student
Abdallah Sayyed-Ahmad, Supercomputing Institute Research Scholar
Vassilios Sotiropoulos, Graduate Student
Poonam Srivastava, Research Associate
Ben Swiniarski, Graduate Student
Jonathan Tomshine, Graduate Student
Victor Vivcharuk, Research Associate
Katherine Volzing, Graduate Student
Emilia Wu, Research Associate