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   COLLOQUIUM OF THE LABORATORY FOR COMPUTER DESIGN OF MATERIALS
                   School of Computational Sciences
                           (CSI 898-Sec 001)
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       Unraveling the Mystery of DNA Conductivity

                  Satyam Priyadarshy
      Department of Chemistry, Duke University, Durham, NC

Is the DNA molecule a conductor, semiconductor or an insulator?
Nucleic acid biosynthesis, regulation of genetic information, and
radiation damage/repair proceed via electron transfer reactions in
DNA. However, the fundamental mechanism of DNA electron transfer has
been the subject of intensive debate for more than a decade, due to
widely varying experimental determinations of the electron transfer
rate in DNA. Two fundamental mechanisms: “superexchange” and thermal
induction seems to play a significant role.

The results of large-scale quantum calculations and molecular dynamics
simulations allow us to discuss the length scales at which each
mechanism dominates. This enhanced understanding of the DNA electron
transfer mechanism using computational methods will help un unraveling
the mystery of DNA conductivity. This will enhance use of DNA for
multiple applications in bionanotechnology.
                
                Monday , February 24, 2003
                         4:30 pm
                Room 206, Science & Tech. I

Refreshments will be served at 4:15 PM.
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Find the schedule at http://www.csi.gmu.edu/lcdm/seminar/schedule.html