SimBioSys
Utilizes Revolutionary Hardware Technology to Open New Frontiers in
Molecular Modeling
TORONTO, ON - 24th Apr 2008: SimBioSys, a
leader in the field of rational drug discovery software, today
announced it has exploited parallel computer architecture to
dramatically speed up the process of virtual screening and docking.
This advance positively impacts the speed by which scientists can
perform virtual screening calculations.
Through porting and optimization of SimBioSys'
eHiTS software on the IBM®
BladeCenter® QS21 based on the multi-core Cell Broadband Engine
(Cell/B.E.) processor, the new "eHiTS® Lightning" software
application has demonstrated accelerated throughput of up to 30x
faster than the application running on a traditional processor
configuration. With this improvement in performance, much larger
libraries of chemical compounds can be screened in a comparable time,
or alternatively, the algorithms can be applied to generate results
with higher accuracy in a more manageable timeframe than previously
available.
"Our decision to support our eHiTS software on
the Cell Broadband Engine was driven by the enormous gains in
throughput that the processor could deliver," said Zsolt Zsoldos,
chief technology officer, SimBioSys. "With a well-defined
commercial marketplace supporting the innovations and extensions to the
chip technology, it was clear the Cell/B.E. processor has longevity and
a product roadmap to sustain our own needs to innovate. eHiTS Lightning
running on a single Cell/B.E processor will provide throughput
equivalent to a cluster of about thirty 2GHz Intel chips.
Alternatively, it will allow greater accuracy in a much reduced
timescale. In either case, scientists are supported in their search for
new drug candidates through accelerated discovery." For more in-depth
information see this white-paper:
http://www.simbiosys.com/science/white_papers/eHiTS_on_the_Cell.pdf
Virtual screening is the evaluation of very
large libraries of compounds using algorithms and computer programs to
filter massive amounts of compounds to a number that can be
synthesized, purchased and tested. The main goal of this approach is to
identify novel chemical structures that yield a unique pharmacological
profile.
The Cell Broadband Engine processor was
specifically designed to offer extreme performance to accelerate
compute-intensive tasks," said Jim Comfort, vice president, IBM
Systems and Technology Group. "This feature, combined with the
eHiTS software, allows SimBioSys to optimize its drug research and
discovery software platform. This life science advancement is just one
example of how Cell/B.E. and IBM technology work together to help
organizations establish a competitive advantage."
About SimBioSys:
SimBioSys is a
recognized leader in the field of rational drug
discovery software. Providing a wide range of software solutions, they
are focused on the development of scientific software solutions to
facilitate the drug discovery process. They retain a constant focus on
the innovation of algorithms to provide improved throughput and
accuracy in the fields of flexible docking tools for virtual screening
and de novo structure design. While developing software to enable
computer-assisted synthetic accessibility and retrosynthetic analysis
they support chemists through the challenges of organic synthesis. With
attention to detail, ease-of-use and improved productivity SimBioSys
have become a market leader.
