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Visualizating Allosteric Inhibition of the Hepatitis C Virus RNA Polymerase

Penny Rheingans, CSEE
Ian Thorpe, Chemistry
Brittny Davis, Chemistry
Matt Fioravante, CSEE

 

Discovering new inhibitors and their effects on enzymes is a critical step for developing new treatments for diseases such as Hepatitis C. We propose to develop a number of algorithms to visualize metrics describing molecular dynamics. These visualization allow for exploration of motions between residues to help understand the nature of the motions occurring in the enzyme.