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Tuesday, June 4, 2013

University of Texas researcher uses algorithm to simulate molecular movements in real time

A researcher at The University of Texas uses an algorithm called Milestoning to simulate the molecular movements of important biological molecules, like myosin and reverse transcriptase.

Ron Elber, a researcher at UT's institute for Computational Engineer and Sciences, uses Milestoning to simulate how molecules move in space and over time. The technique provides insights into important processes, which may be used in research across fields, especially in the area of drug development.

Milestoning also is an advancement from many computational approaches which can model atomic detail for only short time frames. Milestoning, on the other hand, can theoretically model molecular motions over any time frame.

URL: http://www.ices.utexas.edu/about/news/223/

Contact Person: Monica Kortsha (mkortsha@ices.utexas.edu)