Comments on: eHiTS Lightning changes the game of Virtual Screening and Docking http://www.simbiosys.com/blog/2008/12/17/ehits-lightning-changes-the-game-of-virtual-screening-and-docking/ Addressing the challenges of computational drug discovery Thu, 23 May 2013 13:37:47 +0000 http://wordpress.org/?v=2.0.11 by: Thomas Reitz http://www.simbiosys.com/blog/2008/12/17/ehits-lightning-changes-the-game-of-virtual-screening-and-docking/#comment-1519 Thu, 08 Jan 2009 03:55:02 +0000 http://www.simbiosys.com/blog/2008/12/17/ehits-lightning-changes-the-game-of-virtual-screening-and-docking/#comment-1519 "Thanks for provide me this informative info. Great! I am really waiting for your next post. Thanks for sharing!" “Thanks for provide me this informative info. Great! I am really waiting for your next post.

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]]> by: SimBioSys Blog » Blog Archive » Is FAST High Quality Docking Possible? The Data Say Yes… http://www.simbiosys.com/blog/2008/12/17/ehits-lightning-changes-the-game-of-virtual-screening-and-docking/#comment-1518 Thu, 18 Dec 2008 22:28:04 +0000 http://www.simbiosys.com/blog/2008/12/17/ehits-lightning-changes-the-game-of-virtual-screening-and-docking/#comment-1518 [...] We are always watching for innovative solutions in docking. We acknowledge those scientists pushing towards the edge of performance and excellence. When we saw the recent announcement regarding the DockStar solution from Silicon Informatics we were interested to see whether they had made some of the promised breakthroughs with their GPU-based solution. Their website promises “With the combined power of the DockStar™ Linux Workstation, NVIDIA’s® Tesla™ GPU’s and our proprietary software kernels, Silicon Informatics’ DockStar™ solution outperforms conventional workstations by 10 - 20+ times.” The system is based on the Autodock 4.0 software platform. As commented in my recent blogpost we have been doing a lot of work to validate the performance of eHiTS Lightning and gathering validation data for throughput, pose accuracy and enrichment so we were interested to compare our data with those of the GPU-based DockStar solution. We’ll report the data in much more detail in a Case Study note presently in development but our observations at present are based on comparing to information they have on the site. [...] […] We are always watching for innovative solutions in docking. We acknowledge those scientists pushing towards the edge of performance and excellence. When we saw the recent announcement regarding the DockStar solution from Silicon Informatics we were interested to see whether they had made some of the promised breakthroughs with their GPU-based solution. Their website promises “With the combined power of the DockStar™ Linux Workstation, NVIDIA’s® Tesla™ GPU’s and our proprietary software kernels, Silicon Informatics’ DockStar™ solution outperforms conventional workstations by 10 - 20+ times.” The system is based on the Autodock 4.0 software platform. As commented in my recent blogpost we have been doing a lot of work to validate the performance of eHiTS Lightning and gathering validation data for throughput, pose accuracy and enrichment so we were interested to compare our data with those of the GPU-based DockStar solution. We’ll report the data in much more detail in a Case Study note presently in development but our observations at present are based on comparing to information they have on the site. […]

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