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Molecular 'movies' may accelerate anti-cancer drug discovery
Date:8/17/2012

tively and to identify the molecules that are most likely to inhibit epigenetic targets."

This research is currently fueling international collaborations with leading experimentalists in enzymology and epigenetics, including the group of Andrea Mattevi at the University of Pavia in Italy.

In the past decades, computing power has steadily risen, increasing by more than one order of magnitude every six years or less. High performance computing using graphic processing units and special-purpose hardware is currently pushing scientific boundaries even further. By taking advantage of such technological advancements, the development and application of chemical theory and computational approaches are becoming increasingly relevant for addressing important biomedical problems.

"My group's long-term goal is to significantly advance the use of computer chemistry in pharmacological applications," says Baron. "I believe in the extremely fascinating idea that physics-based approaches and computers can drive the discovery of new molecules and their practical use."


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Contact: Phil Sahm
phil.sahm@hsc.utah.edu
801-581-2517
University of Utah Health Sciences
Source:Eurekalert

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