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Research Abstracts Online
January 2009 - March 2010

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University of Minnesota Twin Cities
Medical School
Department of Laboratory Medicine and Pathology

PI: William B. Gleason, Fellow

Applications of High Performance Computing to Biological Structure Problems

These researchers are concerned with experimental and theoretical structural modeling questions. This work includes x-ray crystallographic structure determination of protein/ligand complexes as well as simulation of such structures using docking and/or molecular dynamics studies. Systems of current interest include glycosaminoglycan (e.g., heparin) interactions with proteins. These are important in blood coagulation as well as virtually all aspects of growth and development. Other systems investigated during this period include inhibitor complexes of the HIV protease and protein kinase inhibition, particularly involving the cancer-therapy drugs Irressa and Tarceva.

Group Members

Leila Albers, Research Associate
Adam W. Birdsall, Supercomputing Institute Undergraduate Intern
To-Uyen T. Pham, Undergraduate Student
Malgorzata M. Siorek, Undergraduate Student
Derek Straka, Undergraduate Student