A New Model for Teaching through Research
Research Streams
Computational
Nanoparticles
Professor Graeme Henkelman
Dr. Wenjie Tang
What are the characteristics of
new nanoparticles?
This FRI Stream uses computational
models to calculate how new nanopar-
ticles react with each other and their
environment. Students also construct
their own particles, each with a dif-
ferent composition and structure, and
use quantum chemistry calculations
to evaluate their properties to design
new catalysts.
Virtual Drug Screening
Professor Jon Robertus
Can new drugs be identified from
libraries of drug-like molecules?
Identifying new drug leads using tra-
ditional methods is an expensive and
time consuming process. This FRI
Stream uses computers to sift through
libraries of chemical structures and
Visit the Freshman Research Initiative
predict which ones may bind to a
on the Web:
protein that is a potential drug target. http://web3.cns.utexas.edu/fri/
Students learn how to run Virtual Drug
Screening software and use molecu-
lar graphics programs to interpret the
results. They also are introduced to
fundamental features of protein struc-
tures and protein-ligand interactions.
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