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Can we trust docking results?
Sept 2010

IBM Systems and Technology Group releases a white paper with eHiTS and Cell
Oct 2008

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Nov, 2007

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240th ACS
Aug 22-26, 2010
Boston, MA, USA
booth #945
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eHiTS LASSO:
Ligand Activity in Surface Similarity Order


Publications

The activity surface point types (shown as triangles) of a Faxtor Xa inhibitor  ZK-807834 (CI-1031).

Darryl Reid, Bashir S. Sadjad, Zsolt Zsoldos and Aniko Simon: LASSO - ligand activity by surface similarity order: a new tool for ligand based virtual screening
Journal of Computer-Aided Molecular Design, http://dx.doi.org/10.1007/s10822-007-9164-5,
Published online: 18 January 2008, author's copy of the article.
doi: 10.1007/s10822-007-9164-5


Other documents:

Datasheet:


Download eHiTS LASSO datasheet with the latest results.


Overview:

LASSO  Similarity Searching tool


LASSO via ChemSpider:

LASSO Screening on the ChemSpider database

See: the blogs / announcements about this work.




[LASSO Links]

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