Supercomputing simulations led by a joint UT-Oak Ridge National Laboratory team could change how researchers understand the internal motions of proteins that play functional, structural and regulatory roles in all living organisms. The team’s results are featured in Nature Physics.
Jeremy Smith News
Jeremy Smith, UT-ORNL Governor’s Chair and an expert in computational biology, is part of the team that is trying to engineer enzymes—called bioscavengers—so they work more efficiently against chemical weapons. His work is featured in an article on Ozy.com. “They (the researchers) want to employ advanced quantum and molecular mechanics to design an enzyme that
UT researchers are using supercomputing to simulate the interactions of drug compounds and proteins in the body. The computers allow them to rapidly collect and analyze data which could make medicine cheaper, find new uses for existing drugs, and enhance the understanding of a drug’s potential side effects.
Time wrote about a recent study by UT and ORNL researchers, published in the Journal of Physical Chemistry, that focuses on the engineering of enzymes produced in the bodies of squid that may be effective in breaking down nerve gasses and other deadly chemical weapons. The team aspires to create a prophylactic drug from these enzymes that will mitigate their harmful effects on humans, but first they must modify the enzymes to ensure that the human body won’t destroy them first.
Researchers at UT are a step closer to creating a prophylactic drug that would neutralize the deadly effects of the chemical weapons used in Syria and elsewhere. Jeremy Smith, UT-ORNL Governor’s Chair and an expert in computational biology, is part of the team that is trying to engineer enzymes—called bioscavengers—so they work more efficiently against chemical weapons.
Imagine going to the doctor and the doctor peering into your genetic code to determine the best medicine to treat what ails you. The campus has received funding from computer chip maker Intel to develop computer codes to make personalized medicine like this and other transformative scientific discoveries possible.
National Public Radio featured the sequestration effects on research by Governor’s Chair for Molecular Biophysics Jeremy Smith and graduate student Sally Ellingson who use Oak Ridge National Laboratory’s supercomputer, Titan. Grant agencies like the National Science Foundation are only funding roughly 1 in 5 of the proposals it receives now, reported NPR. Smith said he’s
WATE-TV Anchor Lori Tucker spoke with Jeremy Smith, Governor’s Chair for Molecular Biophysics and director of the UT/Oak Ridge National Laboratory Center for Molecular Biophysics, about ongoing research to engineer enzymes to chemically transform sarin into harmless molecules. The end result could be A prophylactic treatment to be taken before an attack, rendering the chemical
Sally Ellingson, a doctoral student in the Genome Science and Technology graduate program, has won the American Chemical Society’s very prestigious ACS Chemical Computing Group Research Excellence Award.
By identifying two genes required for transforming inorganic into organic mercury, which is far more toxic, UT and Oak Ridge National Laboratory (ORNL) scientists today have taken a significant step toward protecting human health. The question of how methylmercury, an organic form of mercury, is produced by natural processes in the environment has stumped scientists for decades, but a team comprised of four researchers at UT has solved the puzzle.