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Research Abstracts Online
January 2009 - March 2010

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

PI: Leonard J. Banaszak, Associate Fellow

Water Molecules and Protein Structure

This project focuses on analyzing the role of water molecules found in protein structures determined by x-ray crystallography, without using experimental methods. The initial goal was to determine the distribution of weakly bound water molecules relative to the center of gravity. Software for this aspect of the study has now been written and debugged. Similarly, software for studying the distribution in terms of shells has been developed and tested. The next stage involves studies of representative structures using the analyses, followed by an analysis of the distance distribution of waters relative to charged sidechains.