Jeremy Smith News

Titan Supercomputer Probes Depths of Biofuel’s Biggest Barrier

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Ask a biofuel researcher to name the single greatest technical barrier to cost-effective ethanol, and you’re likely to receive a one-word response: lignin. To better understand exactly how lignin persists, researchers ORNL created one of the largest biomolecular simulations to date using the Titan supercomputer to track and analyze millions of atoms. The research was led by Jeremy Smith, UT Governor’s Chair based in the Department of Biochemistry and Cellular and Molecular Biology.

Ozy: A Drug to Fight Chemical Weapons

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

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UT Researchers Use Computers for Drug Research

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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: Squid Protein: Our Best Defense Against Chemical Weapons?

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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.

UT, ORNL Scientists’ Discoveries Could Help Neutralize Chemical Weapons

Nerve agent sarin bound to bioscavenger enzyme.

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.

UT Receives Funding from Intel to Push Supercomputing Limits, Establish Center

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.

NPR: Science On Shaky Ground As Automatic Budget Cutbacks Drag On

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

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WATE-TV: ORNL and UT researchers work to protect people from deadly chemical gases

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

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