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From: Aniko Simon <aniko * simbiosys.ca>
Organization: SimBioSys Inc.
To: CCL <chemistry * ccl.net>
Subject: CCL: announcing eHiTS: free docking software for teaching and academic research
Date: Tue, 19 Apr 2005 21:28:10 -0400
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SimBioSys offers eHiTS 5.1 free for teaching and academic research!

eHiTS is the truly exhaustive docking program that explores the full 
conformational and pose space. The newly released version 5.1 ships with a 
fully automated training facility that can tune the scoring function to 
particular receptors or protein families, improving both accuracy and 
enrichment results.

eHiTS consistently outperforms other docking tools in validation comparisons, 
using publically available datasets, resulting in more accurate docking 
poses.  In addition, the automated handling of protontation states produces 
more accurate screening results for large databases, where up-front 
estimating of the protonation states for all ligand/receptor combinations is 
impossible.  eHiTS evaluates all possible protonation states in a single run.  

To further improve the great results of eHiTS, the new training facility 
allows the user to tailor the scoring functions to recognize particular 
families of interest and better score ligands that make key interactions.  
The training utility is very simple to use and can improve both accuracy and 
enrichment results.  

SimBioSys recognizes the importance of docking research in the academic world, 
and the financial constraints of many academic institutions.  With this in 
mind, we are offering eHiTS 5.1 free for most academic institutions.  

For more information about eHiTS 5.1 and to obtain an evaluation of the 
software, please visit our website (www.simbiosys.ca) and fill out a demo 
request form.