UMBC logo
UMBC High Performance Computing Facility
Please note that this page is under construction. We are documenting the 240-node cluster maya that will be available after Summer 2014. Currently, the 84-node cluster tara still operates independently, until it becomes part of maya at the end of Summer 2014. Please see the 2013 Resources Pages under the Resources tab for tara information.
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.