Ph.D. Dissertation Defense - Rahul Ravindrudu

Date: 19 Sep, 2008
Time: 1:00 PM
Location: 390 Carver
Topic: An Integrated Software Environment for Protein Structure Refinement
Major Professor(s): David Fernandez-Baca and Zhijun Wu


Abstract:

The structures determined by NMR spectroscopy as well as the computer generated comparative models are not as always as accurate as desired.
Further refinement of the structures is often required and sometimes critical. Here we create a software environment to refine these comparative models by using energy based functions, various scoring functions, as well as distance geometry based simulated annealing using mean-force potentials.