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January 2010 - March 2011

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University of Minnesota Twin Cities
College of Science and Engineering
Department of Chemical Engineering and Materials Science

PI: Yiannis N. Kaznessis, Fellow

Multiscale Models for Biomolecular Systems

Antimicrobial peptides (AMPs) are a promising new class of antibiotics that are believed to kill pathogens by permeabilizing their cell membranes. The present work focuses on protegrin, a particularly effective AMP derived from porcine leukocytes, believed to act primarily by forming octameric transmembrane pores. These researchers combine atomistic molecular dynamics simulations with Poisson-Boltmann calculations and Nernst-Planck theory to determine the mechanism of action of protegrin.

Group Members

Konstantinos Billiouris, Graduate Student
Dan S. Bolintineanu, Graduate Student
Anushree Chatterjee, Graduate Student
Fatemeh Ghasemi, Research Associate
Patrick Smadbeck, Undergraduate Student
Bennett J. Swiniarski, Graduate Student
Victor Vivcharuk, Research Associate
Katherine Volzing, Graduate Student
Emma Weeding, Undergraduate Student
Emilia Wu, Research Associate