Illinois International Events

Back to Listing

Theoretical and Computational Biophysics Group 'Computational molecular biophysics for renewable energy, environmental science and drug design'

Event Type
Seminar/Symposium
Sponsor
Klaus Schulten
Location
3269 Beckman Institute, 405 N. Mathews Ave
Date
Feb 11, 2013   3:00 pm  
Speaker
Dr. Jeremy C. Smith, U of Tennessee/Oak Ridge National Lab, Oak Ridge, TN
Contact
Nancy Mallon
E-Mail
nlborn@ks.uiuc.edu
Phone
244-1586
Views
1031
Originating Calendar
Beckman Main Calendar

Some recent concepts in computational molecular biophysics will be presented, with special emphasis on themes of particular technological importance. We will examine how simulations help us understand and overcome the recalcitrance of biomass in cellulosic biofuel production, and how computational chemistry can be used to characterize the cycling of mercury in the environment. The combination of neutron scattering with simulation is used to understand dynamical aspects of the protein glass transition. The change in thermodynamics on ligand binding to a protein is discussed, together with prospects for drug design using exascale supercomputers.

link for robots only