TORONTO, April 24 /PRNewswire/ - 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(R) BladeCenter(R) QS2 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:
Virtual screening is the evaluation of v
|SOURCE SimBio Sys Inc.|
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