October 30, Tue 2012
1:00 pm, MRB 200 Conference Room
Dr. Thomas Cheatham
Department of Medicinal Chemistry, University of Utah
Moving from assessment and validation towards application to Hepatitis C virus IRES targeting
Using biomolecular simulation methods on high performance computational resources we aim to develop, apply, and assess methods for characterizing nucleic acid structure, dynamics and interactions. Recent focus has been on re-refinement of high resolution RNA structures, probing Hepatitis C IRES RNA structures interacting with lead compounds, and attempting to improve the modeling of nucleic acid structure. In addition to developing the methods and force fields, a key element of our research aims at facilitating data management, analysis and dissemination of the results which is becoming challenge as we move from being compute limited to serious data overload.