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'Fingerprints' match molecular simulations with reality
Date:2/22/2011

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Combining the power of simulations and experiments will help researchers tackle scientific challenges in areas like biofuels, drug development, materials design and fundamental biological processes, which require a thorough understanding of how molecules move and interact.

"Many important things in science depend on atoms and molecules moving," Smith said. "We want to create movies of molecules in motion and check experimentally if these motions are actually happening."

View a supercomputer simulation of a protein in motion here: http://www.ornl.gov/ornlhome/hg_mer.htm

"The aim is to seamlessly integrate supercomputing with the Spallation Neutron Source so as to make full use of the major facilities we have here at ORNL for bioenergy and materials science development," Smith said.


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Contact: Morgan McCorkle
mccorkleml@ornl.gov
865-574-7308
DOE/Oak Ridge National Laboratory
Source:Eurekalert

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