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.
Allosteric Inhibition of Hepatitis C Viral Polymerase
Ian F. Thorpe, Brittny Davis, Greg Trzcinski, Tijesunimi Odebode,
Onajite Shemi, Iwona Weidlich, Kevin Majewski, Jodian Brown, Ester Sesmero
Department of Chemistry and Biochemistry
Hepatitis C virus (HCV) affects about 170 million people worldwide
and is an important public health concern. This project will identify
novel therapeutic strategies to counter HCV infection by examining, at
the molecular level, the physical properties that govern inhibition of
the viral RNA-dependent RNA polymerase (RdRp) which replicates the HCV
genome. Several classes of allosteric inhibitors bind to the enzyme and
the mechanism of action of these inhibitors is not well understood. To
date there have not been systematic studies to understand the molecular
origin of inhibition. We will employ molecular simulation methods to
obtain a detailed physical description of the structural and dynamic
properties of RdRp in order to determine the source of allosteric