SimBioSys Blog

Here at SimBioSys we are always happy to hear when users are deriving value from our software. In particular, our contributions of eHiTS software to academia over the years has brought us a lot of supporters who have challenged us with new problems and requests for development and have celebrated with us when we have successfully delivered. Commonly, the result of this work is a publication. Our users go out of there way to tell us when they publish a paper using eHiTS software and these two were brought to our attention this week. We know there are more in the pipeline so watch this page for details:

http://www.simbiosys.ca/science/user_pubs/index.html

Over the past year SimBioSys has been focused on the development of eHiTS Lightning. Any of you reading our blog will have seen the many announcements and discussions about WHY we chose the Cell processor as the platform for our development. For those of you who have not seen those comments I point you to our list of blog postings below…all good reading and we certainly do not regret our decision.

The fast and the furious: compare Cell/B.E., GPU and FPGA

The wow factor at the BIO-IT World Expo

Fastest supercomputer built on the Cell/BE

Our peers in the world of software development for virtual screening and docking have talked with us a number of times regarding “How’s it going with the Cell?”, always with interest and generally with a “that’s a major commitment to a platform” in their comments. We are committed to Cell..we believe we will hear more about this processor for scientific applications in the future. In doing our port we have had the privilege of working with some excellent people at IBM in regards to optimizing the port to Cell. We are proud to say that there views can be summarized with “you guys did an excellent port!” from IBM Cell specialists. We have recently finished a White paper with IBM that will be distributed to the scientific community via both of our organizations and thank them for their work in putting that together with us. A copy of the White paper is available online here: Using Cell Broadband Engine Technology to Improve Molecular Modeling Applications

We will be attending the eCheminfo Autumn Community of Practice meeting Oct 14-17, 2008, Bryn Mawr, PA, USA.

Zsolt Zsoldos, Chief Scientific/Technical Officer of SimBioSys will be presenting a talk on “The eHiTS scoring function”, while

Orr Ravitz, Applications Scientist, will be presenting a poster on “Utilizing training techniques in eHiTS improve score-RMSD and score-IC50 correlations in in silico high throughput screening”.

Looking at the events and the abstracts, this should be a very interesting meeting. Full list of the “Docking & Scoring” event is posted here:

http://barryhardy.blogs.com/cheminfostream/2008/09/docking-and-sco.html

If you are going to the event and would like to set aside time to discuss or demo our products please contact us at info[at]simbiosys.ca

posted by Aniko

in the Chemistry World, Oct 2008 issue: