Thursday, September 21

MS12
Biomolecular Simulation Applications

2:00 PM-4:00 PM
New Hampshire 3

For "Methods for Biomolecular Dynamics", see MS19.

These are exciting times for macromolecular scientists. The efficiency and resolution of experimental techniques for large biological polymers --- proteins and nucleic acids --- is improving rapidly, while theoretical modeling is thriving on increased computer power, new algorithmic ideas from various disciplines, and parallel architectural opportunities. The field attracts both biological and mathematical/physical scientists. Not only are the practical applications of computational molecular biophysics numerous --- from drug design to biomedical engineering to food chemistry --- but a host of challenging real problems that demand sophisticated yet practical algorithms can be found in areas like protein folding prediction, biomolecular dynamics simulations, genome analysis, and drug design. The speakers will present examples of some of these applications.

2:00-2:25 Advances in Protein Folding Predictions

Richard A. Friesner, Columbia University, USA

2:30-2:55 Protein Structure Prediction by Global Optimization Utilizing Secondary Structure Prediction

Robert Schnabel, University of Colorado, Boulder, USA

3:00-3:25 Prediction of Protein Structure and Function on a Genomic Scale

Jeff Skolnick, Danforth Plant Science Center, USA

3:30-3:55 Computational Geometry of Molecular Structure

Alexander Tropsha, University of North Carolina, Chapel Hill, USA