Researchers in Illinois have created what is believed to be the first
atomic-level computer-based simulation of a complete functioning organism.
According to the scientists, the breakthrough has the potential to speed
development of new drugs to combat viruses in plants, animals and, ultimately,
people.
A research team led by Professor Klaus Schulten at the
University of Illinois at
Urbana-Champaign simulated a plant virus with as many as one million moving
atoms.
The achievement is described by the team as historic due to the sheer
complexity of the problem. Had the researchers relied on today's desktop
computer systems, they would not have finished until 2041.
Professor Schulten's team used part of an SGI Altix 3700 Bx2 system located
at the National Center for
Supercomputing Applications. The Altix system allowed them to calculate how
all the atoms interact every femtosecond, or one-millionth-of-a-billionth of a
second.
Although the virus is so small that biologists refer to it as a particle, the
ability to simulate the organism as it functions holds tremendous promise for
medical research.
"It allows us to see how the virus assembles and disassembles," said Peter
Freddolino, a member of the Illinois research team which also includes physicist
Anton Arkhipov.
"Because assembly and disassembly are two of the key steps in the viral life
cycle, understanding these events could lead to the development of drugs
designed to attack them at these vulnerable points."
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