University of Minnesota
University Relations
http://www.umn.edu/urelate
612-624-6868

Minnesota Supercomputing Institute


Log out of MyMSI

Research Abstracts Online
January 2008 - March 2009

University of Minnesota Twin Cities
College of Biological Sciences and Medical School
Department of Biochemistry, Molecular Biology, and Biophysics

PI: Kevin H. Mayo, Fellow

Protein-Protein and Peptide-Peptide Interactions

The main goal of this project is to computationally study the binding of the carbohydrate binding protein galectin to the disaccharide lactose. The researchers use molecular docking tools and the molecular dynamics simulation method (NAMD) to investigate the interaction of two galectin, galectin-1 and galectin-7, to lactose, and to explore the binding profiles and energy landscapes. They are also studying two different mechanisms of lactose binding and substrate-induced changes in monomer associate interaction energies.

Group Members

Vladimir Daragan, Faculty Collaborator
Ruud Dings, Research Associate
Elena Ermakova, Collaborator
Mark A. Klein, Faculty Collaborator
Garrett McLean, Supercomputing Institute Undergraduate Intern
Michelle Miller, Graduate Student
Irina Nesmelova, Faculty Collaborator