Arguslab is also free docking software for teaching and academic research :)

 I could not resist :)
 ArgusLab 4.1 is completely free for everyone and has a terrific docking
 suite.  The ShapeDock engine in ArgusLab is an "exhaustive" search
 algorithm
 of my own invention and is very fast.
 ArgusLab also includes a large suite of electronic structure capabilities
 including EHT, AM1, PM3, ZINDO, and a terrific interface to Gaussian 98 and
 Gaussian 03.  Also included is a nice 3D molecule builder and extensive
 support for visualizing  results, surfaces, etc.
 Get it for free at http://www.arguslab.com
 Cheers,
 Mark
 -----Original Message-----
 From: Computational Chemistry List [mailto:chemistry-request
 _()_ ccl.net]On
 Behalf Of Aniko Simon
 Sent: Tuesday, April 19, 2005 6:28 PM
 To: CCL
 Subject: CCL:announcing eHiTS: free docking software for teaching and
 academic research
 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.
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