[Zinc-fans] ZINCPharmer Update

David Koes dkoes at pitt.edu
Fri Sep 9 13:54:19 PDT 2011


Greetings all ZINC Fans!

ZINCPharmer is a free pharmacophore search server for screening all the 
purchasable compounds of ZINC.  The online interface can be used to 
identify and edit pharmacophores (spatial arrangements of key 
interaction features such as hydrophobes, hydrogen bonds, and charges) 
and then search a multi-conformer database for exact matches in a matter 
of seconds.

http://zincpharmer.csb.pitt.edu/

I've just updated the library to represent the most up-to-date 
purchasable subset and, working with the fine ZINC folks, plan to 
continuously update the library on a monthly basis.

Please provide feedback in the ZINCPharmer forum as new features will 
generally only be implemented on a by-request basis.


David Koes
Research Assistant Professor
Department of Computational & Systems Biology
University of Pittsburgh


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