[BiO BB] Re: [Cheminformatics] Small molecule databases

[K. R. Rupesh]

Dear Dr. Nagasuma Chandra,
 
Hope this few links might help you for your database.
 
http://www.nyu.edu/pages/mathmol/library/
 
http://ligand-depot.rutgers.edu/LigandDepot/jsp/BrowseHandler.jsp?BrowseBy=2
 
http://www.ccp4.ac.uk/
 
http://cmm.info.nih.gov/modeling/databases_body.html
 
http://journals.iucr.org/sincris-top/themes/chimie/
 
Good luck,
Rupesh

"Dr.Nagasuma Chandra" <nchandra at physics.iisc.ernet.in> wrote:

Hi

  We are trying to get a database of the three-dimensional structures of 
small molecules that are already synthesized and available (for eg., in 
SIGMA/ALDRICH etc), as a supplement to the CSD database, which we have. 
Any help regarding the websites containing some information and 
distributors dealing with this will be greatly appreciated.

Cheers
***********************************************
   Dr. Nagasuma Chandra
   Bioinformatics centre
   Indian Institute of Science
   Bangalore 560 012
   Tel: +91-80-3092469 or 3601409
   Fax: +91-80-3600551 
   e-mail: nchandra at physics.iisc.ernet.in
***********************************************





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K. R. Rupesh, 
Department of Biotechnology, 
Pondicherry University, 
Pondicherry-605014, India. 
Ph        : 91-413-2655991 (428), 2655715 (Department), 
fax       : 91-413-2655265 
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