UMBC High Performance Computing Facility
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.